J095-0002 Screening compound: 8-({[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-9-methyl-6,9-dihydro-1H-purin-6-one

J095-0002 Screening compound: 8-({[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-9-methyl-6,9-dihydro-1H-purin-6-one
J095-0002 Screening compound: 8-({[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-9-methyl-6,9-dihydro-1H-purin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J095-0002
8-({[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-9-methyl-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

J095-0002

Molecular Formula

C18H17N5O3S (C18 H17 N5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CSc(n2C)nc3c2N=CNC3=O)nc(-c(cc2)ccc2OC)o1

InChI

InChI=1S/C18H17N5O3S/c1-10-13(21-17(26-10)11-4-6-12(25-3)7-5-11)8-27-18-22-14-15(23(18)2)19-9-20-16(14)24/h4-7,9H,8H2,1-3H3,(H,19,20,24)

InChI Key

IKXCICPDRKELQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09788368

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.170

Distribution Coefficient, logD

2.169

Water Solubility, LogSw

-2.55

Polar Surface Area

74.178

Acid Dissociation Constant (pKa)

10.27

Base Dissociation Constant (pKb)

4.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

J095-0002 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer

References: we are preparing a list of scientific research reports with J095-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J095-0002?
Check Price and Availability of J095-0002, 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 J095-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J095-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J095-0002
  • 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 J095-0002 available by request