G597-0898 Screening compound: 3-(4-chlorophenyl)-5-[1-(morpholin-4-yl)-1-oxobutan-2-yl]-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one

G597-0898 Screening compound: 3-(4-chlorophenyl)-5-[1-(morpholin-4-yl)-1-oxobutan-2-yl]-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one
G597-0898 Screening compound: 3-(4-chlorophenyl)-5-[1-(morpholin-4-yl)-1-oxobutan-2-yl]-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G597-0898
3-(4-chlorophenyl)-5-[1-(morpholin-4-yl)-1-oxobutan-2-yl]-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

G597-0898

Molecular Formula

C19H19ClN4O4 (C19 H19 ClN4 O4)

Compound Name

3-(4-chlorophenyl)-5-[1-(morpholin-4-yl)-1-oxobutan-2-yl]-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one

IUPAC name

3-(4-chlorophenyl)-5-[1-(morpholin-4-yl)-1-oxobutan-2-yl]-4H5H-[12]oxazolo[54-d]pyrimidin-4-one

SMILES

CCC(C(N1CCOCC1)=O)N(C=Nc1c2c(-c(cc3)ccc3Cl)no1)C2=O

InChI

InChI=1S/C19H19ClN4O4/c1-2-14(18(25)23-7-9-27-10-8-23)24-11-21-17-15(19(24)26)16(22-28-17)12-3-5-13(20)6-4-12/h3-6,11,14H,2,7-10H2,1H3/t14-/m0/s1

InChI Key

FXUUXUMKCZMSHE-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD27644075

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.84

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.704

Distribution Coefficient, logD

1.704

Water Solubility, LogSw

-3.01

Polar Surface Area

71.621

Acid Dissociation Constant (pKa)

23.60

Base Dissociation Constant (pKb)

3.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.80

G597-0898 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 G597-0898 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G597-0898?
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What is the minimum amount of G597-0898 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G597-0898
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G597-0898
  • 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 G597-0898 available by request