G754-0222 Screening compound: 9-phenyl-8-{[(pyridin-4-yl)methyl]sulfanyl}-6,9-dihydro-1H-purin-6-one

G754-0222 Screening compound: 9-phenyl-8-{[(pyridin-4-yl)methyl]sulfanyl}-6,9-dihydro-1H-purin-6-one
G754-0222 Screening compound: 9-phenyl-8-{[(pyridin-4-yl)methyl]sulfanyl}-6,9-dihydro-1H-purin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G754-0222
9-phenyl-8-{[(pyridin-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

G754-0222

Molecular Formula

C17H13N5OS (C17 H13 N5 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C1NC=Nc(n2-c3ccccc3)c1nc2SCc1ccncc1

InChI

InChI=1S/C17H13N5OS/c23-16-14-15(19-11-20-16)22(13-4-2-1-3-5-13)17(21-14)24-10-12-6-8-18-9-7-12/h1-9,11H,10H2,(H,19,20,23)

InChI Key

PUIQJZIVHKRLGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09779853

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.372

Distribution Coefficient, logD

1.367

Water Solubility, LogSw

-1.90

Polar Surface Area

57.602

Acid Dissociation Constant (pKa)

9.95

Base Dissociation Constant (pKb)

5.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

G754-0222 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

KRAS-Targeted Library (16000 compounds)

NOTUM (Wnt signaling) Library (3881 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G754-0222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G754-0222?
Check Price and Availability of G754-0222, 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 G754-0222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G754-0222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G754-0222
  • 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 G754-0222 available by request