G842-0576 Screening compound: 1-[(2-chlorophenyl)methyl]-N-(1,2-oxazol-3-yl)-2-oxo-1,2-dihydropyridine-3-carboxamide

G842-0576 Screening compound: 1-[(2-chlorophenyl)methyl]-N-(1,2-oxazol-3-yl)-2-oxo-1,2-dihydropyridine-3-carboxamide
G842-0576 Screening compound: 1-[(2-chlorophenyl)methyl]-N-(1,2-oxazol-3-yl)-2-oxo-1,2-dihydropyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G842-0576
1-[(2-chlorophenyl)methyl]-N-(1,2-oxazol-3-yl)-2-oxo-1,2-dihydropyridine-3-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

G842-0576

Molecular Formula

C16H12ClN3O3 (C16 H12 ClN3 O3)

Compound Name

1-[(2-chlorophenyl)methyl]-N-(1,2-oxazol-3-yl)-2-oxo-1,2-dihydropyridine-3-carboxamide

IUPAC name

1-[(2-chlorophenyl)methyl]-N-(12-oxazol-3-yl)-2-oxo-12-dihydropyridine-3-carboxamide

SMILES

O=C(C1=CC=CN(Cc(cccc2)c2Cl)C1=O)Nc1nocc1

InChI

InChI=1S/C16H12ClN3O3/c17-13-6-2-1-4-11(13)10-20-8-3-5-12(16(20)22)15(21)18-14-7-9-23-19-14/h1-9H,10H2,(H,18,19,21)

InChI Key

OBFXYZIWEUKBGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08029382

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.74

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.717

Distribution Coefficient, logD

0.943

Water Solubility, LogSw

-3.46

Polar Surface Area

61.753

Acid Dissociation Constant (pKa)

5.63

Base Dissociation Constant (pKb)

-3.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

G842-0576 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Proline Kinase Library (2105 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Male
  • Female
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G842-0576 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G842-0576?
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What is the minimum amount of G842-0576 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G842-0576
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G842-0576
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of G842-0576 available by request