G597-0985 Screening compound: 2-[3-(4-chlorophenyl)-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-(2,5-dimethoxyphenyl)butanamide

G597-0985 Screening compound: 2-[3-(4-chlorophenyl)-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-(2,5-dimethoxyphenyl)butanamide
G597-0985 Screening compound: 2-[3-(4-chlorophenyl)-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-(2,5-dimethoxyphenyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G597-0985
2-[3-(4-chlorophenyl)-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-(2,5-dimethoxyphenyl)butanamide

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

G597-0985

Molecular Formula

C23H21ClN4O5 (C23 H21 ClN4 O5)

Compound Name

2-[3-(4-chlorophenyl)-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-(2,5-dimethoxyphenyl)butanamide

IUPAC name

2-[3-(4-chlorophenyl)-4-oxo-4H5H-[12]oxazolo[54-d]pyrimidin-5-yl]-N-(25-dimethoxyphenyl)butanamide

SMILES

CCC(C(Nc(cc(cc1)OC)c1OC)=O)N(C=Nc1c2c(-c(cc3)ccc3Cl)no1)C2=O

InChI

InChI=1S/C23H21ClN4O5/c1-4-17(21(29)26-16-11-15(31-2)9-10-18(16)32-3)28-12-25-22-19(23(28)30)20(27-33-22)13-5-7-14(24)8-6-13/h5-12,17H,4H2,1-3H3,(H,26,29)/t17-/m0/s1

InChI Key

FQSAXXSCFNEXJY-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD15021977

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.9

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.507

Distribution Coefficient, logD

3.506

Water Solubility, LogSw

-4.52

Polar Surface Area

84.632

Acid Dissociation Constant (pKa)

10.06

Base Dissociation Constant (pKb)

1.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

G597-0985 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G597-0985 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G597-0985?
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What is the minimum amount of G597-0985 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G597-0985
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G597-0985
  • 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 G597-0985 available by request