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Profile: Activate Scientific GmbH specializes in multifunctional heterocylic synthons, scaffolds and boronic acids. We produce and distribute novel reactive intermediates, exclusive building blocks (Exclusive Blocks™) and series of synthons for drug discovery. We provide boronic acids such as alkylboronic acids, arylboronic acids, borontrifluorides, heterocyclic boronic and vinyl boronic acids. Our products include alicyclic, azepines, azetidines, aromatics, bridged compounds, chromans, dioxoles and furans.

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• (S)-1-Boc-2-isobutyl-piperazine
IUPAC Name: tert-butyl (2S)-2-(2-methylpropyl)piperazine-1-carboxylate | CAS Registry Number: 674792-06-4
Synonyms: N1-Boc-2-isobutylpiperazine, TL8004756, C-1122

Molecular Formula: C13H26N2O2Molecular Weight: 242.357740 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: WXGGVOBNOVOVAM-NSHDSACASA-N

• 3-Trimethylsilylphenylboronic acid
IUPAC Name: (3-trimethylsilylphenyl)boronic acid | CAS Registry Number: 177171-16-3
Synonyms: 3-(Trimethylsilyl)phenylboronic acid, (3-trimethylsilylphenyl)boronic Acid, 3-(Trimethylsilyl)benzeneboronic Acid, ACMC-1BWKH, AC1NDK4Z, SureCN646948, 523666_ALDRICH, CTK4D6426, MolPort-000-139-893, ANW-22864, AKOS004119268, (3-(Trimethylsilyl)phenyl)boronic acid, AB13273, AG-E-27483, AM90067, LS10857, QC-1510, RP09416, AK-84171, KB-33373

Molecular Formula: C9H15BO2SiMolecular Weight: 194.110700 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: REMKRZLFPLDTKR-UHFFFAOYSA-N

• 2,4-Dichlorothieno[3,2-d]pyrimidine
IUPAC Name: 2,4-dichlorothieno[3,2-d]pyrimidine | CAS Registry Number: 16234-14-3
Synonyms: 2,4-Dichlorothiopheno[3,2-d]pyrimidine, thieno[3,2-d]pyrimidine, 2,4-dichloro-, AG-E-12185, 2,4-dichloro-thieno[3,2-d]pyrimidine, PubChem14660, CTK3J6670, MolPort-000-140-533, ACN-S001417, ANW-75121, AS0050, QC-121, RW3218, WTI-11902, ZINC30678396, AKOS005259768, HP21431, MCULE-9846302678, PB32614, RP04506, AK-24136

Molecular Formula: C6H2Cl2N2SMolecular Weight: 205.064480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: AQECFYPZMBRCIA-UHFFFAOYSA-N

• 4-Aminomethylohenylboronic acid pinacl ester hydrochloride
IUPAC Name: [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine hydrochloride | CAS Registry Number: 138500-88-6
Synonyms: A1310G1, 4-Aminomethylphenylboronic acid pinacol ester hydrochloride

Molecular Formula: C13H21BClNO2Molecular Weight: 269.575340 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: KPECMJIHZZWTJN-UHFFFAOYSA-N

• (S)-1-N-Boc-piperazine-2-carboxylic acid
IUPAC Name: (2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid | CAS Registry Number: 159532-59-9
Synonyms: (S)-1-Boc-piperazine-2-carboxylic acid, (S)-1-(tert-butoxycarbonyl)piperazine-2-carboxylic acid, (S)-1-Boc-piperazine-2-carboxylicacid, (S)-4-Boc-Piperazine-3-carboxylic acid, (2S)-1-(tert-butoxycarbonyl)piperazine-2-carboxylic acid, (S)-Piperazine-1,2-dicarboxylic acid 1-tert-butyl ester, PubChem11692, SureCN2480988, Jsp003161, CTK4D0106, MolPort-000-006-050, BH124, ACT08847, FC0169, SBB067499, AKOS005258543, AC-2194, AG-E-08862, AM81370, MB02268

Molecular Formula: C10H18N2O4Molecular Weight: 230.260920 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: MPOFEHGMWPHBSF-ZETCQYMHSA-N

• 2-Piperazinone, 1,5-dimethyl-
IUPAC Name: 1,5-dimethylpiperazin-2-one | CAS Registry Number: 74879-13-3
Synonyms: 1,5-DIMETHYLPIPERAZIN-2-ONE, AG-G-98020, SureCN3982590, 2-Piperazinone,1,5-dimethyl-, CTK5E0619, AKOS015850629, RL04848, AK129392, KB-10669, AB1006569, A26387, B-1475, Piperazinone,1,5-dimethyl- (9CI);Piperazinone, 1,5-dimethyl-, (?A'A A'A currency)-;1,5-Dimethylpiperazin-2-one;

Molecular Formula: C6H12N2OMolecular Weight: 128.172280 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: TUXCFTFFNGQODI-UHFFFAOYSA-N

• 3-Methylpyridine-4-carboxaldehyde
IUPAC Name: 3-methylpyridine-4-carbaldehyde | CAS Registry Number: 74663-96-0
Synonyms: 3-Methyl-pyridine-4-carbaldehyde, ZINC01420525, ASN 07731954

Molecular Formula: C7H7NOMolecular Weight: 121.136580 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: JFFOBFAGCSLMSV-UHFFFAOYSA-N

• 2-Fluoropyridine-4-Boronic Acid Pinacol Ester
IUPAC Name: 2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine | CAS Registry Number: 458532-86-0
Synonyms: 2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine, 2-Fluoropyridine-4-boronic acid pinacol ester, 2-Fluoropyridin-4-boronic acid pinacol ester, 2-fluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine, AC1Q2CSR, SureCN613614, CTK8B3655, MolPort-001-777-389, ANW-42887, PC8520, SBB096426, AKOS015853570, AB29871, QC-7076, RP05271, AK-45738, KB-24218, KB-24224, FT-0685385, Y9155

Molecular Formula: C11H15BFNO2Molecular Weight: 223.051703 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: PCLMNCBIXQQRMB-UHFFFAOYSA-N

• (S)-1-Boc-3-((dimethylamino)methyl)pyrrolidine
IUPAC Name: tert-butyl (3S)-3-[(dimethylamino)methyl]pyrrolidine-1-carboxylate | CAS Registry Number: 859213-51-7
Synonyms: AG-H-46544, PubChem18356, SureCN3564630, CTK5F5979, MolPort-000-140-600, AKOS015836448, AC-1791, RP05474, AK-30141, KB-05686, S917, AB1005737, TL8005599, FT-0084104, FT-0601700, FT-0654882, A841495, I14-3970, (3S)-1-(tert-Butoxycarbonyl)-3-((dimethylamino)methyl)pyrrolidine, (S)-tert-butyl 3-((dimethylamino)methyl)pyrrolidine-1-carboxylate

Molecular Formula: C12H24N2O2Molecular Weight: 228.331160 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: SVFCKPUIJBZBQS-JTQLQIEISA-N

• 2-Nitro-3-methylpyridine
IUPAC Name: 3-methyl-2-nitropyridine | CAS Registry Number: 18368-73-5
Synonyms: 3-Methyl-2-nitropyridine, 2-Nitro-3-picoline, SBB068994, 3-methyl-2-nitro-pyridine, zlchem 441, PubChem6641, 3-Picoline, 2-nitro-, AC1LBTZ2, AC1Q5AWR, ACMC-1BT2A, 3-Methyl-2-nitro-pyridin, SureCN799695, Jsp003768, CTK3J4461, NNHSGPKSSZLCGT-UHFFFAOYSA-, ZLC0302, MolPort-000-140-163, WT655, ACT04445, ANW-23172

Molecular Formula: C6H6N2O2Molecular Weight: 138.124040 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: NNHSGPKSSZLCGT-UHFFFAOYSA-N

• 4,5,6,7-tetrahydrothieno[2,3-c]pyridine hydrochloride
IUPAC Name: 4,5,6,7-tetrahydrothieno[2,3-c]pyridine;hydrochloride | CAS Registry Number: 28783-38-2
Synonyms: 4,5,6,7-TETRAHYDROTHIENO[2,3-C]PYRIDINE HYDROCHLORIDE, 4,5,6,7-tetrehydrothieno[2,3-c]pyridine hydrochloride, 4,5,6,7-TETRAHYDROTHIENO[2,3-C]PYRIDINE HCL, 4,5,6,7-tetrahydrothieno[2,3-c]pyridinehydrochloride, PubChem17778, SureCN1427992, CTK8B5767, MolPort-000-140-238, BH395, ANW-50025, FC0407, SC1001, WTI-10055, AKOS015848776, AC-4317, AG-E-92897, QC-2657, RP08863, AK-27411, BR-27411

Molecular Formula: C7H10ClNSMolecular Weight: 175.679000 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: VQEOIFRMJGFLQH-UHFFFAOYSA-N

• 1-(Triisopropylsilyl)pyrrole-3-boronic acid
IUPAC Name: [1-tri(propan-2-yl)silylpyrrol-3-yl]boronic acid | CAS Registry Number: 138900-55-7
Synonyms: 3-Borono-1-[tris(isopropyl)silyl]-1H-pyrrole, 1-(triisopropylsilyl)-1H-pyrrol-3-ylboronic acid, 1-Tris(isopropylsilyl)-1H-pyrrole-3-boronic acid, (3-Borono-1H-pyrol-1-yl)[tris(isopropyl)]silane, [1-tri(propan-2-yl)silylpyrrol-3-yl]boronic acid, (3-Borono-1H-pyrrol-1-yl)[tris(prop-2-yl)]silane, 1-(TRIISOPROPYLSILYL)-1H-PYRROL-3-YL-3-BORONIC ACID, Boronic acid,B-[1-[tris(1-methylethyl)silyl]-1H-pyrrol-3-yl]-, 1-(Triisopropyl silyl) pyrrole-3-boronic acid, PubChem11818, SureCN101282, AC1MC83K, ACMC-1C0Q9, CTK4C1454, MolPort-000-140-773, ACN-S001751, ANW-20480, AKOS004116477, AG-D-78553, OR15596

Molecular Formula: C13H26BNO2SiMolecular Weight: 267.247540 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: HUBVAOMVEMGRFA-UHFFFAOYSA-N

• (R)-1-N-Boc-2-(hydroxymethyl)piperazine
IUPAC Name: tert-butyl (2R)-2-(hydroxymethyl)piperazine-1-carboxylate | CAS Registry Number: 169448-87-7
Synonyms: (R)-1-Boc-2-Hydroxymethylpiperazine, (R)-1-Boc-2-Hydroxymethyl-piperazine, AG-E-18793, (R)-tert-butyl 2-(hydroxymethyl)piperazine-1-carboxylate, (R)-1-N-BOC-2-HYDROXYMETHYLPIPERAZINE, tert-butyl (2R)-2-(hydroxymethyl)piperazine-1-carboxylate, SureCN1994122, Jsp003451, CTK4D3297, MolPort-000-140-590, BH123, ACT08846, PS-J-056, FC0168, AKOS005258444, AKOS015911913, AC-1792, AM84587, MB04689, RP05009

Molecular Formula: C10H20N2O3Molecular Weight: 216.277400 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: BCPPNDHZUPIXJM-MRVPVSSYSA-N

• 1H-Pyrrolo[2,3-b]pyridin-3-amine
IUPAC Name: 1H-pyrrolo[2,3-b]pyridin-3-amine | CAS Registry Number: 189882-31-3
Synonyms: 1H-pyrrolo[2,3-b]pyridin-3-amine, 3-AMINO-7-AZAINDOLE, AG-E-38619, SureCN5802606, CTK0G9405, MolPort-004-756-921, ACN-S002728, ANW-48341, WTI-10785, ZINC14984902, AKOS005214187, OR30683, QC-2675, RP00993, AK-32140, BR-32140, KB-65351, WT-131356, A4190, FT-0083780

Molecular Formula: C7H7N3Molecular Weight: 133.150580 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: HCTKTFWOSSBSIL-UHFFFAOYSA-N

• 1,5-Dimethyl-1H-pyrazole-3-carbonyl chloride
IUPAC Name: 1,5-dimethylpyrazole-3-carbonyl chloride | CAS Registry Number: 49783-84-8
Synonyms: 1,5-Dimethyl-1H-Pyrazole-3-Carbonyl Chloride, 1,5-dimethylpyrazole-3-carbonyl chloride, SBB053659, 1,5-Dimethyl-1h-Pyrazole-3-CarbonylChloride, ZINC02513556, AC1MCQWY, AC1Q40AL, CTK1D5469, MolPort-000-140-218, AKOS006229041, RP02056, AM100877, KB-10660, FT-0606966, Y9219, C-1468, 1H-Pyrazole-3-carbonylchloride, 1,5-dimethyl-, I11-0315

Molecular Formula: C6H7ClN2OMolecular Weight: 158.585580 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: BADBQYAILRGCBB-UHFFFAOYSA-N

• 1-Boc-azetidine-3-carboxylic acid
IUPAC Name: 1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylate | CAS Registry Number: 142253-55-2
Synonyms: ZINC04110308, CID7102033

Molecular Formula: C9H14NO4-Molecular Weight: 200.211760 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: NCADHSLPNSTDMJ-UHFFFAOYSA-M

• (R)-1-Boc-pyrrolidine-1,3-dicarboxylate
IUPAC Name: 1-O-tert-butyl 3-O-methyl (3R)-pyrrolidine-1,3-dicarboxylate | CAS Registry Number: 441717-40-4
Synonyms: (R)-1-tert-butyl 3-methyl pyrrolidine-1,3-dicarboxylate, Methyl1-Boc-3-pyrrolidinecarboxylate, (R)-1-Boc-pyrrolidine-3-carboxylic acid methyl ester, O1-tert-Butyl O3-methyl (3R)-pyrrolidine-1,3-dicarboxylate, (R)-1-tert-Butoxycarbonyl-pyrrolidine-3-carboxylic acid methyl ester, Pyrrolidine-1,3-dicarboxylic acid-1-tert-butyl ester 3-methyl ester, AC1LTTCX, PubChem18386, SureCN1968331, BOCCHEM PS-L-A086, MolPort-003-981-804, ZINC01436156, AKOS015851027, AKOS015911010, AC-1504, PB19062, RP07460, AK-29254, AB1005742, AM20100145

Molecular Formula: C11H19NO4Molecular Weight: 229.272860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: LIWFYAVKYUQMRE-MRVPVSSYSA-N

• 2-Amino-5-fluoropyridine
IUPAC Name: 5-fluoropyridin-2-amine | CAS Registry Number: 21717-96-4
Synonyms: 5-fluoropyridin-2-amine, 518689_ALDRICH, ZERO/006220, ALBB-006132, A109, TL8001800, InChI=1/C5H5FN2/c6-4-1-2-5(7)8-3-4/h1-3H,(H2,7,8

Molecular Formula: C5H5FN2Molecular Weight: 112.105003 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: YJTXQLYMECWULH-UHFFFAOYSA-N

• 3-Nitropyridine-4-carboxylic acid
IUPAC Name: 3-nitropyridine-4-carboxylic acid | CAS Registry Number: 59290-82-3
Synonyms: 3-nitroisonicotinic acid, 3-nitropyridine-4-carboxylic Acid, 3-NitroisonicotinicAcid, 3-Nitro-4-pyridinecarboxylic acid, 3-Nitro-isonicotinic acid, SBB053031, PubChem9763, AC1MC7JU, SureCN1231890, CTK1G9096, MolPort-000-140-148, WT658, 4-Pyridinecarboxylicacid, 3-nitro-, ANW-50135, HT1058, AKOS006280973, AG-D-03831, AG-G-11078, PB26123, QC-4378

Molecular Formula: C6H4N2O4Molecular Weight: 168.106960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: YKPIUHZVTZWEEW-UHFFFAOYSA-N

• 3-Fluoro-4-methoxyphenylboronic acid
IUPAC Name: (3-fluoro-4-methoxyphenyl)boronic acid | CAS Registry Number: 149507-26-6
Synonyms: 564036_ALDRICH, BM273, ST5408490, TL8001076

Molecular Formula: C7H8BFO3Molecular Weight: 169.946023 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: IILGLPAJXQMKGQ-UHFFFAOYSA-N

• 2-Bromo-5-hydroxymethylthiazole
IUPAC Name: (2-bromo-1,3-thiazol-5-yl)methanol | CAS Registry Number: 687636-93-7
Synonyms: ZINC04368824, CID7213124, B2127M500

Molecular Formula: C4H4BrNOSMolecular Weight: 194.049660 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: DWNJWSPPORNJGV-UHFFFAOYSA-N

• 1-Hydroxy-2,1-Benzoxaborolane
IUPAC Name: 1-hydroxy-3H-2,1-benzoxaborole | CAS Registry Number: 5735-41-1
Synonyms: 1-hydroxy-3H-2,1-benzoxaborole, CHEBI:453269, NSC719278, AIDS471672, AIDS-471672, CID403788, 1-Hydroxy-3(1H)-1,2-Benzoboroxole, H3680G1, NCI60_040975, 1,3-dihydro-1-hydroxy-2,1-benzoxaborole, 2-(Hydroxymethyl)phenylboronic acid dihydrate, 2,1-Benzoxaborole, 1,3-dihydro-1-hydroxy-, A1783/0075589

Molecular Formula: C7H7BO2Molecular Weight: 133.940280 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: XOQABDOICLHPIS-UHFFFAOYSA-N

• 1-Pyrrolidinecarboxylic acid, 3-cyano-, 1,1-dimethylethyl ester, (3R)-
IUPAC Name: tert-butyl (3R)-3-cyanopyrrolidine-1-carboxylate | CAS Registry Number: 132945-76-7
Synonyms: (R)-1-Boc-3-cyanopyrrolidine, (R)-1-N-Boc-3-Cyano-pyrrolidine, (R)-1-Boc-3-cyano-pyrrolidine, AG-D-67099, (R)-3-Cyano-pyrrolidine-1-carboxylic acid tert-butyl ester, tert-butyl (3R)-3-cyanopyrrolidine-1-carboxylate, 1-pyrrolidinecarboxylic acid, 3-cyano-, 1,1-dimethylethyl ester, (3r)-, ZINC02549346, PubChem11150, (R)-tert-butyl 3-cyanopyrrolidine-1-carboxylate, SureCN13820, Jsp002003, CTK4B8261, (r)-1-n-boc-3-cyanopyrrolidine, MolPort-000-140-602, (R)-N-BOC-CYANOPYRROLIDINE, ANW-64149, AKOS005258707, AC-1459, PB12838

Molecular Formula: C10H16N2O2Molecular Weight: 196.246240 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: VDDMCMFPUSCJNA-QMMMGPOBSA-N

• 3,5-Dimethylisoxazole-4-boronic acid
IUPAC Name: (3,5-dimethyl-1,2-oxazol-4-yl)boronic acid | CAS Registry Number: 16114-47-9
Synonyms: BM305, SBB004160, 3,5-Dimethyl-isoxazole-4-boronic acid, TL8007125

Molecular Formula: C5H8BNO3Molecular Weight: 140.932920 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: DIIFZCPZIRQDIJ-UHFFFAOYSA-N

• 3-Amino-2-chloro-6-methoxypyridine
IUPAC Name: 2-chloro-6-methoxypyridin-3-amine | CAS Registry Number: 34392-85-3
Synonyms: EINECS 251-989-2, 2-Chloro-6-methoxypyridin-3-amine, CID118674

Molecular Formula: C6H7ClN2OMolecular Weight: 158.585580 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: AOGGRVIJAHZLFK-UHFFFAOYSA-N

• 2-Fluoro-3-methylpyridine
IUPAC Name: 2-fluoro-3-methylpyridine | CAS Registry Number: 2369-18-8
Synonyms: Ambap559, 2-Fluoro-3-picoline, 533246_ALDRICH, NSC51591, CID242722, ZINC00403518, TL8001958

Molecular Formula: C6H6FNMolecular Weight: 111.116943 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: PHGXUFPYCAWEHK-UHFFFAOYSA-N

• 1,3-Dimethyl-1H-pyrazole-5-carbonyl chloride
IUPAC Name: 2,5-dimethylpyrazole-3-carbonyl chloride | CAS Registry Number: 55458-67-8
Synonyms: ZINC02570668, SBB005476, CID2736299, H09023

Molecular Formula: C6H7ClN2OMolecular Weight: 158.585580 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: ZIAPGUFDEJWQHC-UHFFFAOYSA-N

• 3-Fluoro-4-methylbenzeneboronic acid
IUPAC Name: (3-fluoro-4-methylphenyl)boronic acid | CAS Registry Number: 168267-99-0
Synonyms: 3-Fluoro-p-tolylboronic acid, 567426_ALDRICH, 3-Fluoro-4-methylphenylboronic acid, F3286G1, TL8001302

Molecular Formula: C7H8BFO2Molecular Weight: 153.946623 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: WPVBHUUZDFUIJA-UHFFFAOYSA-N

• (3-Formyl-1-indolyl)acetic acid
IUPAC Name: 2-(3-formylindol-1-yl)acetate | CAS Registry Number: 138423-98-0
Synonyms: ZINC00254469, CID3544186

Molecular Formula: C11H8NO3-Molecular Weight: 202.186120 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: ZUUGBTJTGRTIFK-UHFFFAOYSA-M

• (1,3-Dimethyl-1H-Pyrazol-5-Yl)methylamine
IUPAC Name: (2,5-dimethylpyrazol-3-yl)methanamine | CAS Registry Number: 499770-63-7
Synonyms: STK349283, (2,5-dimethylpyrazol-3-yl)methanamine, CC12513, CID1257670, (1,3-Dimethyl-1H-pyrazol-5-yl)methanamine, 1-(1,3-dimethyl-1H-pyrazol-5-yl)methanamine, H09019

Molecular Formula: C6H11N3Molecular Weight: 125.171640 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: DAOWQCXPMWGSBW-UHFFFAOYSA-N

• 1,3-Pyrrolidinedicarboxylic acid, 1-(1,1-dimethylethyl) ester, (3R)-
IUPAC Name: (3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid | CAS Registry Number: 72925-16-7
Synonyms: (R)-1-Boc-pyrrolidine-3-carboxylic acid, (R)-1-N-Boc-beta-proline, (R)-1-(tert-butoxycarbonyl)pyrrolidine-3-carboxylic acid, boc-l-beta-proline, (r)-1-boc-3-carboxyl pyrrolidine, (r)-n-boc-pyrrolidine-3-carboxylic acid, (R)-1-N-Boc-belta-proline, R-1-BOC-Pyrrolidine-3-carboxylic acid, (r)-1-n-boc-pyrrolidine-3-carboxylic acid, (r)-pyrrolidine-1,3-dicarboxylic acid 1-tert-butyl ester, 1,3-pyrrolidinedicarboxylic acid, 1-(1,1-dimethylethyl) ester, (3r)-, N-BOC-D-BETA-PROLINE, N-BOC-L-BETA-PROLINE, PubChem11134, AC1LTQ8N, SureCN42957, BOC-BETA-D-PROLINE, (R)-1-N-Boc-A-proline, KSC915G9D, CTK8B5391

Molecular Formula: C10H17NO4Molecular Weight: 215.246280 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: HRMRQBJUFWFQLX-SSDOTTSWSA-N

• 2-Chloro-3-fluoropyridine
IUPAC Name: 2-chloro-3-fluoropyridine | CAS Registry Number: 17282-04-1
Synonyms: 636576_ALDRICH, ZINC02384113, CID2782791, C210, TL8001364

Molecular Formula: C5H3ClFNMolecular Weight: 131.535423 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: SVAZIMBLBHOVIR-UHFFFAOYSA-N

• 2-Amino-5-bromo-4-methylthiazole
IUPAC Name: 5-bromo-4-methyl-1,3-thiazol-2-amine | CAS Registry Number: 3034-57-9
Synonyms: 2-Amino-5-Bromo-4-Methylthiazole, 5-bromo-4-methylthiazol-2-amine, SBB070340, AG-E-99881, 5-bromo-4-methyl-1,3-thiazol-2-amine, ACMC-209hf8, AGN-PC-00K8RF, CTK4G5008, MolPort-005-941-507, 5-bromo-4-methylthiazole-2-amine, 2-Thiazolamine,5-bromo-4-methyl-, 2-Amino-5-bromo-4-methyl thiazole, 2-Thiazolamine, 5-bromo-4-methyl-, ANW-26850, ZINC15021509, AKOS005255824, AC-5048, AG-A-84381, RP03896, AK-23596

Molecular Formula: C4H5BrN2SMolecular Weight: 193.064900 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: XZYIDZIGJVUTKE-UHFFFAOYSA-N

• 2-Amino-6-chloropyrazine
IUPAC Name: 6-chloropyrazin-2-amine | CAS Registry Number: 33332-28-4
Synonyms: 1wcc, 6-chloropyrazin-2-amine, 2-AMINO-6-CHLOROPYRAZINE, Pyrazinamine, 6-chloro-, 6-chloropyrazin-2-amine, 5, CID118458, SBB005488, ZINC01101988, A2337G1, DB02297, AI3-61778, TL8002520, CIG

Molecular Formula: C4H4ClN3Molecular Weight: 129.547660 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: JTPXVCKCLBROOJ-UHFFFAOYSA-N

• 2-Aminopyrimidine-4-carboxylic acid
IUPAC Name: 2-aminopyrimidine-4-carboxylic acid | CAS Registry Number: 2164-65-0
Synonyms: NSC61555, CID247194

Molecular Formula: C5H5N3O2Molecular Weight: 139.112100 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: GKFPFLBDQJVJIH-UHFFFAOYSA-N

• 1-(tert-Butoxycarbonyl)indole-2-boronic acid
IUPAC Name: [1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid | CAS Registry Number: 213318-44-6
Synonyms: N-Boc-indole-2-boronic acid, 1-Boc-indole-2-boronic acid, ZERO/004903, 675911_ALDRICH, B2000G1, CID2773302, N-(tert-butoxycarbonyl)indole-2-boronic acid, TL80073575, 1-(tert-butoxycarbonyl)indole-2-boronic acid, [N-(tert-Butoxycarbonyl)indol-2-yl]boronic acid, A4137/0176383

Molecular Formula: C13H16BNO4Molecular Weight: 261.081440 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: SVIBPSNFXYUOFT-UHFFFAOYSA-N

• 2-Methylindan-1-one
IUPAC Name: (2R)-2-methyl-2,3-dihydroinden-1-one | CAS Registry Number: 17496-14-9
Synonyms: 2-methylindan-1-one, ZINC02043598, 1H-Inden-1-one, 2,3-dihydro-2-methyl-, InChI=1/C10H10O/c1-7-6-8-4-2-3-5-9(8)10(7)11/h2-5,7H,6H2,1H

Molecular Formula: C10H10OMolecular Weight: 146.185800 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: BEKNOGMQVKBMQN-SSDOTTSWSA-N

• 4-(6-Chloropyridazin-3-Yl)morpholine
IUPAC Name: 4-(6-chloropyridazin-3-yl)morpholine | CAS Registry Number: 17259-32-4
Synonyms: 3-Chloro-6-morpholinopyridazine, MLS000709366, MolPort-000-140-748, NSC270412, BB_SC-6423, 4-(6-chloropyridazin-3-yl)morpholine, ALBB-007412, CID321079, STK063496, ZINC00115178, 4-(6-chloro-3-pyridazinyl)morpholine, 4-(6-Chloro-pyridazin-3-yl)-morpholine, BAS 02252862, SMR000290033, TL8007204, H13018, AC-907/34126057

Molecular Formula: C8H10ClN3OMolecular Weight: 199.637500 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: QDXCFLKGKSWHMI-UHFFFAOYSA-N

• 3-Cyclopentapyrazolecarboxylic acid, 1,4,5,6-tetrahydro-
IUPAC Name: 1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid | CAS Registry Number: 5932-32-1
Synonyms: 1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid, 1,4,5,6-Tetrahydro-cyclopentapyrazole-3-carboxylic acid, 1H,4H,5H,6H-Cyclopenta[C]Pyrazole-3-Carboxylic Acid, 3-cyclopentapyrazolecarboxylic acid, 1,4,5,6-tetrahydro-, 884497-47-6, 2,4,5,6-Tetrahydro-cyclopentapyrazole-3-carboxylic acid, 2,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid, AC1LFDON, BAS 01402336, ChemDiv3_014408, AC1Q5UH4, SureCN1663622, Oprea1_415453, AC1Q748C, AC1Q748D, CHEMBL128604, STOCK1S-83984, CTK1G9218, CTK3E6738, CHEBI:312437

Molecular Formula: C7H8N2O2Molecular Weight: 152.150620 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: FCYBBDFUBSEGMX-UHFFFAOYSA-N

• 2-Bromo-3-methyl-5-nitropyridine
IUPAC Name: 2-bromo-3-methyl-5-nitropyridine | CAS Registry Number: 23132-21-0
Synonyms: ZERO/006250, ZINC02383994, B219

Molecular Formula: C6H5BrN2O2Molecular Weight: 217.020100 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: FZIQHPKXSLHGBZ-UHFFFAOYSA-N

• 2-(Methylthio)-pyridine-5-boronic acid
IUPAC Name: (6-methylsulfanylpyridin-3-yl)boronic acid | CAS Registry Number: 321438-86-2
Synonyms: 2-Methylthiopyridine-5-boronic acid, M2495G1

Molecular Formula: C6H8BNO2SMolecular Weight: 169.009220 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: UXWKVPJOPVIIRU-UHFFFAOYSA-N

• 1H-indole-3-propanol
IUPAC Name: 3-(1H-indol-3-yl)propan-1-ol | CAS Registry Number: 3569-21-9
Synonyms: Holmotryptophol, 1H-Indole-3-propanol, CID77115, EINECS 222-667-9, I-3940

Molecular Formula: C11H13NOMolecular Weight: 175.227020 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: LYPSVQXMCZIRGP-UHFFFAOYSA-N

• 1h-Isoindole-4-Carboxylic Acid, 2,3-Dihydro-2-(phenylmethyl)-
IUPAC Name: 2-benzyl-1,3-dihydroisoindole-4-carboxylic acid | CAS Registry Number: 127169-17-9
Synonyms: 2-Benzylisoindoline-4-carboxylic acid, AG-D-56778, 1H-Isoindole-4-carboxylicacid, 2,3-dihydro-2-(phenylmethyl)-, PubChem14711, SureCN9757304, ACMC-1C136, CTK0H0189, MolPort-000-140-691, ANW-51827, SC1901, AKOS015856017, RP07868, AK-28320, BR-28320, KB-20954, AM20050483, FT-0645777, X9695, A15184, 2-benzyl-1,3-dihydroisoindole-4-carboxylic acid

Molecular Formula: C16H15NO2Molecular Weight: 253.295800 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: FCHOYDWTQYAPDZ-UHFFFAOYSA-N

• 2-Benzofurancarboxylic acid ethyl ester
IUPAC Name: ethyl 1-benzofuran-2-carboxylate | CAS Registry Number: 3199-61-9
Synonyms: Ethyl 2-benzofurancarboxylate, ethyl 1-benzofuran-2-carboxylate, benzofuran-2-carboxylic acid ethyl ester, Ethyl Benzofuran-2-carboxylate, AG-F-06812, 2-benzofurancarboxylic acid, ethyl ester, AC1LD2PG, SureCN2775850, CHEMBL1090985, CTK4G8043, ethyl benzo[d]furan-2-carboxylate, MolPort-000-140-084, Ethyl benzo[b]furan-2-carboxylate, ANW-47256, SBB091106, ZINC02383957, AKOS000114246, 2-Benzofurancarboxylicacid, ethyl ester, CCG-138913, LC-0201

Molecular Formula: C11H10O3Molecular Weight: 190.195300 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: KAWQPOUWLVOHKU-UHFFFAOYSA-N

• 3-(tert-Butoxycarbonylaminomethyl)phenylboronic acid
IUPAC Name: [3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid | CAS Registry Number: 199609-62-6
Synonyms: BM554, 3-((N-Boc-amino)methyl)phenylboronic acid

Molecular Formula: C12H18BNO4Molecular Weight: 251.086620 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: YHAQUGOSDQZIMA-UHFFFAOYSA-N

• 2-Amino-5-Chloro-3-Nitropyridine
IUPAC Name: 5-chloro-3-nitropyridin-2-amine | CAS Registry Number: 409-39-2
Synonyms: 2-Amino-5-chloro-3-nitropyridine, 5409-39-2, 5-chloro-3-nitropyridin-2-amine, 5-chloro-3-nitro-2-pyridinamine, SBB003813, AG-F-45590, ST50136077, 5-chloro-3-nitro-2-pyridylamine, NSC12459, PubChem1151, ACMC-1AQUA, AC1Q5APJ, SureCN203312, AC1L5D3J, KSC496E3F, TPC-PY065, 594202_ALDRICH, CTK3J6232, MolPort-000-140-649, ACT05512

Molecular Formula: C5H4ClN3O2Molecular Weight: 173.557160 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: GILTXHIJUUIMPI-UHFFFAOYSA-N

• 2-Chloro-6-Methyl-4-Pyrimidinylamine
IUPAC Name: 2-chloro-6-methylpyrimidin-4-amine | CAS Registry Number: 14394-60-6
Synonyms: NSC222758, 2-Chloro-6-methyl-4-pyrimidinamine, 4-Amino-2-chloro-6-methylpyrimidine, CID312629, ZINC01756614, 2-chloro-6-methyl-4-pyrimidinylamine, C4013G1, AQ-344/43100048

Molecular Formula: C5H6ClN3Molecular Weight: 143.574240 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: FBEIDYLEFVIOEY-UHFFFAOYSA-N

• 1-Trityl-1H-imidazole-4-carboxaldehyde
IUPAC Name: 1-[tri(phenyl)methyl]imidazole-4-carbaldehyde | CAS Registry Number: 33016-47-6
Synonyms: 1-Trityl-4-formylimidazole, ZINC04244882, T2168G1, 4-Imidazolic aldehyde, 1-triphenylmethyl-

Molecular Formula: C23H18N2OMolecular Weight: 338.401820 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: YQYLLBSWWRWWAY-UHFFFAOYSA-N

• 3-Thienylmethylamine
IUPAC Name: thiophen-3-ylmethanamine | CAS Registry Number: 27757-86-4
Synonyms: 3-THIENYLMETHYLAMINE, thiophen-3-ylmethanamine, 3-Thiophenemethylamine, 1-THIEN-3-YLMETHANAMINE, 3-Thiophenemethanamine, (Thien-3-yl)methylamine, 3-(Aminomethyl)thiophene, Thiophen-3-yl-methylamine, (thiophen-3-yl)methanamine, C-Thiophen-3-yl-methylamine, BVC, 115132-84-8, F3145-1894, AC1MCQXF, PubChem12348, ChemDiv2_001991, SureCN120232, KSC201O5D, 1-(thiophen-3-yl)methanamine, THIOPHENE-3-METHYLAMINE

Molecular Formula: C5H7NSMolecular Weight: 113.180780 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: DUDAKCCDHRNMDJ-UHFFFAOYSA-N

• 3-Fluoro-4-methylpyridine
IUPAC Name: 3-fluoro-4-methylpyridine | CAS Registry Number: 399-88-2
Synonyms: 3-fluoro-4-picoline, 4-methyl-3-fluoropyridine, PYRIDINE, 3-FLUORO-4-METHYL-, ZINC02599054, zlchem 994, PubChem9251, 3-Fluoro-g-picoline;, ACMC-1AGEA, SureCN91449, AC1L82MA, 3-fluoro-4-methyl pyridine, SureCN4143304, KSC925S4F, Jsp006923, CTK8C5942, ZLD0460, MolPort-000-140-087, ABBYPHARMA AP-14-5353, AC-441, AKOS005063622

Molecular Formula: C6H6FNMolecular Weight: 111.116943 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: WZMOEPZZTTWDIA-UHFFFAOYSA-N


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