J095-0389 Screening compound: 8-({[2-(2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-2,9-dimethyl-6,9-dihydro-1H-purin-6-one

J095-0389 Screening compound: 8-({[2-(2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-2,9-dimethyl-6,9-dihydro-1H-purin-6-one
J095-0389 Screening compound: 8-({[2-(2,5-dimethylphenyl)-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 J095-0389
8-({[2-(2,5-dimethylphenyl)-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

J095-0389

Molecular Formula

C20H21N5O2S (C20 H21 N5 O2 S)

Compound Name

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

IUPAC name

8-({[2-(25-dimethylphenyl)-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(-c2c(C)ccc(C)c2)o1

InChI

InChI=1S/C20H21N5O2S/c1-10-6-7-11(2)14(8-10)19-23-15(12(3)27-19)9-28-20-24-16-17(25(20)5)21-13(4)22-18(16)26/h6-8H,9H2,1-5H3,(H,21,22,26)

InChI Key

JWIGUZQBIOPHNJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12965592

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.49

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

3.640

Distribution Coefficient, logD

3.624

Water Solubility, LogSw

-3.79

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

30.00

J095-0389 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with J095-0389 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J095-0389?
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What is the minimum amount of J095-0389 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J095-0389
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J095-0389
  • 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 J095-0389 available by request