G754-0178 Screening compound: 8-({[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-9-phenyl-6,9-dihydro-1H-purin-6-one

G754-0178 Screening compound: 8-({[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-9-phenyl-6,9-dihydro-1H-purin-6-one
G754-0178 Screening compound: 8-({[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-9-phenyl-6,9-dihydro-1H-purin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G754-0178
8-({[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-9-phenyl-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

G754-0178

Molecular Formula

C22H16BrN5O2S (C22 H16 BrN5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CSc(n2-c3ccccc3)nc3c2N=CNC3=O)nc(-c2cccc(Br)c2)o1

InChI

InChI=1S/C22H16BrN5O2S/c1-13-17(26-21(30-13)14-6-5-7-15(23)10-14)11-31-22-27-18-19(24-12-25-20(18)29)28(22)16-8-3-2-4-9-16/h2-10,12H,11H2,1H3,(H,24,25,29)

InChI Key

QZXVNYDGJNFNEF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27155740

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.407

Distribution Coefficient, logD

4.406

Water Solubility, LogSw

-4.36

Polar Surface Area

66.296

Acid Dissociation Constant (pKa)

9.95

Base Dissociation Constant (pKb)

3.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

G754-0178 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G754-0178 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G754-0178?
Check Price and Availability of G754-0178, 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 G754-0178 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G754-0178
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G754-0178
  • 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 G754-0178 available by request