G597-0861 Screening compound: 3-(4-chlorophenyl)-5-[(4-ethenylphenyl)methyl]-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one

G597-0861 Screening compound: 3-(4-chlorophenyl)-5-[(4-ethenylphenyl)methyl]-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one
G597-0861 Screening compound: 3-(4-chlorophenyl)-5-[(4-ethenylphenyl)methyl]-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G597-0861
3-(4-chlorophenyl)-5-[(4-ethenylphenyl)methyl]-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one

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

G597-0861

Molecular Formula

C20H14ClN3O2 (C20 H14 ClN3 O2)

Compound Name

3-(4-chlorophenyl)-5-[(4-ethenylphenyl)methyl]-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one

IUPAC name

3-(4-chlorophenyl)-5-[(4-ethenylphenyl)methyl]-4H5H-[12]oxazolo[54-d]pyrimidin-4-one

SMILES

C=Cc1ccc(CN(C=Nc2c3c(-c(cc4)ccc4Cl)no2)C3=O)cc1

InChI

InChI=1S/C20H14ClN3O2/c1-2-13-3-5-14(6-4-13)11-24-12-22-19-17(20(24)25)18(23-26-19)15-7-9-16(21)10-8-15/h2-10,12H,1,11H2

InChI Key

CPZANZIYZUWGPG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15021946

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.8

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.753

Distribution Coefficient, logD

3.753

Water Solubility, LogSw

-5.13

Polar Surface Area

47.702

Acid Dissociation Constant (pKa)

29.78

Base Dissociation Constant (pKb)

3.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

G597-0861 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 G597-0861 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G597-0861?
Check Price and Availability of G597-0861, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G597-0861 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G597-0861
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G597-0861
  • 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 G597-0861 available by request