G808-0031 Screening compound: 2-methyl-5-{[(3-methylphenyl)sulfanyl]methyl}-7H-[1,2]oxazolo[2,3-a]pyrimidin-7-one

G808-0031 Screening compound: 2-methyl-5-{[(3-methylphenyl)sulfanyl]methyl}-7H-[1,2]oxazolo[2,3-a]pyrimidin-7-one
G808-0031 Screening compound: 2-methyl-5-{[(3-methylphenyl)sulfanyl]methyl}-7H-[1,2]oxazolo[2,3-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G808-0031
2-methyl-5-{[(3-methylphenyl)sulfanyl]methyl}-7H-[1,2]oxazolo[2,3-a]pyrimidin-7-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

G808-0031

Molecular Formula

C15H14N2O2S (C15 H14 N2 O2 S)

Compound Name

2-methyl-5-{[(3-methylphenyl)sulfanyl]methyl}-7H-[1,2]oxazolo[2,3-a]pyrimidin-7-one

IUPAC name

2-methyl-5-{[(3-methylphenyl)sulfanyl]methyl}-7H-[12]oxazolo[23-a]pyrimidin-7-one

SMILES

CC(ON12)=CC2=NC(CSc2cc(C)ccc2)=CC1=O

InChI

InChI=1S/C15H14N2O2S/c1-10-4-3-5-13(6-10)20-9-12-8-15(18)17-14(16-12)7-11(2)19-17/h3-8H,9H2,1-2H3

InChI Key

XKNKXQVZKHBVPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27162170

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

286.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.476

Distribution Coefficient, logD

2.475

Water Solubility, LogSw

-2.59

Polar Surface Area

38.430

Acid Dissociation Constant (pKa)

28.70

Base Dissociation Constant (pKb)

-2.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

G808-0031 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Targeted Diversity Library (40567 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G808-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G808-0031?
Check Price and Availability of G808-0031, 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 G808-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G808-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G808-0031
  • 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 G808-0031 available by request