J095-0240 Screening compound: 8-({[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-2,9-dimethyl-6,9-dihydro-1H-purin-6-one

J095-0240 Screening compound: 8-({[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-2,9-dimethyl-6,9-dihydro-1H-purin-6-one
J095-0240 Screening compound: 8-({[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-2,9-dimethyl-6,9-dihydro-1H-purin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J095-0240
8-({[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-2,9-dimethyl-6,9-dihydro-1H-purin-6-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

J095-0240

Molecular Formula

C18H16ClN5O2S (C18 H16 ClN5 O2 S)

Compound Name

8-({[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-2,9-dimethyl-6,9-dihydro-1H-purin-6-one

IUPAC name

8-({[2-(2-chlorophenyl)-5-methyl-13-oxazol-4-yl]methyl}sulfanyl)-29-dimethyl-69-dihydro-1H-purin-6-one

SMILES

Cc1c(CSc(n2C)nc3c2N=C(C)NC3=O)nc(-c(cccc2)c2Cl)o1

InChI

InChI=1S/C18H16ClN5O2S/c1-9-13(22-17(26-9)11-6-4-5-7-12(11)19)8-27-18-23-14-15(24(18)3)20-10(2)21-16(14)25/h4-7H,8H2,1-3H3,(H,20,21,25)

InChI Key

GESWZGQWVMUJPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27224898

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.88

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.279

Distribution Coefficient, logD

3.262

Water Solubility, LogSw

-3.75

Polar Surface Area

64.534

Acid Dissociation Constant (pKa)

11.02

Base Dissociation Constant (pKb)

5.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

J095-0240 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with J095-0240 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J095-0240?
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What is the minimum amount of J095-0240 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J095-0240
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J095-0240
  • 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 J095-0240 available by request