G754-0168 Screening compound: 8-{[(2-chlorophenyl)methyl]sulfanyl}-9-phenyl-6,9-dihydro-1H-purin-6-one

G754-0168 Screening compound: 8-{[(2-chlorophenyl)methyl]sulfanyl}-9-phenyl-6,9-dihydro-1H-purin-6-one
G754-0168 Screening compound: 8-{[(2-chlorophenyl)methyl]sulfanyl}-9-phenyl-6,9-dihydro-1H-purin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G754-0168
8-{[(2-chlorophenyl)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

G754-0168

Molecular Formula

C18H13ClN4OS (C18 H13 ClN4 OS)

Compound Name

8-{[(2-chlorophenyl)methyl]sulfanyl}-9-phenyl-6,9-dihydro-1H-purin-6-one

IUPAC name

8-{[(2-chlorophenyl)methyl]sulfanyl}-9-phenyl-69-dihydro-1H-purin-6-one

SMILES

O=C1NC=Nc(n2-c3ccccc3)c1nc2SCc(cccc1)c1Cl

InChI

InChI=1S/C18H13ClN4OS/c19-14-9-5-4-6-12(14)10-25-18-22-15-16(20-11-21-17(15)24)23(18)13-7-2-1-3-8-13/h1-9,11H,10H2,(H,20,21,24)

InChI Key

OPLNGPUOZDYXSL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27155734

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.85

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.665

Distribution Coefficient, logD

3.664

Water Solubility, LogSw

-3.98

Polar Surface Area

48.174

Acid Dissociation Constant (pKa)

9.95

Base Dissociation Constant (pKb)

2.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

G754-0168 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G754-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G754-0168?
Check Price and Availability of G754-0168, 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 G754-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G754-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G754-0168
  • 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 G754-0168 available by request