J095-0005 Screening compound: 9-methyl-8-{[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]sulfanyl}-6,9-dihydro-1H-purin-6-one

J095-0005 Screening compound: 9-methyl-8-{[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]sulfanyl}-6,9-dihydro-1H-purin-6-one
J095-0005 Screening compound: 9-methyl-8-{[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]sulfanyl}-6,9-dihydro-1H-purin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J095-0005
9-methyl-8-{[(5-methyl-2-phenyl-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

J095-0005

Molecular Formula

C17H15N5O2S (C17 H15 N5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CSc(n2C)nc3c2N=CNC3=O)nc(-c2ccccc2)o1

InChI

InChI=1S/C17H15N5O2S/c1-10-12(20-16(24-10)11-6-4-3-5-7-11)8-25-17-21-13-14(22(17)2)18-9-19-15(13)23/h3-7,9H,8H2,1-2H3,(H,18,19,23)

InChI Key

XQBJXYUIRHAXBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09788370

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.4

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

2.082

Distribution Coefficient, logD

2.081

Water Solubility, LogSw

-2.53

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

17.60

J095-0005 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Nucleoside Mimetics Library (2197 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Targets:
  • Kinases
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with J095-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J095-0005?
Check Price and Availability of J095-0005, 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 J095-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J095-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J095-0005
  • 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 J095-0005 available by request