J095-0006 Screening compound: 9-methyl-8-({[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl}sulfanyl)-6,9-dihydro-1H-purin-6-one

J095-0006 Screening compound: 9-methyl-8-({[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl}sulfanyl)-6,9-dihydro-1H-purin-6-one
J095-0006 Screening compound: 9-methyl-8-({[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl}sulfanyl)-6,9-dihydro-1H-purin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J095-0006
9-methyl-8-({[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl}sulfanyl)-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

J095-0006

Molecular Formula

C18H17N5O2S (C18 H17 N5 O2 S)

Compound Name

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

IUPAC name

9-methyl-8-({[5-methyl-2-(3-methylphenyl)-13-oxazol-4-yl]methyl}sulfanyl)-69-dihydro-1H-purin-6-one

SMILES

Cc1c(CSc(n2C)nc3c2N=CNC3=O)nc(-c2cc(C)ccc2)o1

InChI

InChI=1S/C18H17N5O2S/c1-10-5-4-6-12(7-10)17-21-13(11(2)25-17)8-26-18-22-14-15(23(18)3)19-9-20-16(14)24/h4-7,9H,8H2,1-3H3,(H,19,20,24)

InChI Key

QLAYDVWGSCFURK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09788371

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.43

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

2.478

Distribution Coefficient, logD

2.477

Water Solubility, LogSw

-2.75

Polar Surface Area

66.634

Acid Dissociation Constant (pKa)

10.27

Base Dissociation Constant (pKb)

4.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with J095-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J095-0006?
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What is the minimum amount of J095-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J095-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J095-0006
  • 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 J095-0006 available by request