G754-0041 Screening compound: 8-{[(3-chlorophenyl)methyl]sulfanyl}-9-ethyl-6,9-dihydro-1H-purin-6-one

G754-0041 Screening compound: 8-{[(3-chlorophenyl)methyl]sulfanyl}-9-ethyl-6,9-dihydro-1H-purin-6-one
G754-0041 Screening compound: 8-{[(3-chlorophenyl)methyl]sulfanyl}-9-ethyl-6,9-dihydro-1H-purin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G754-0041
8-{[(3-chlorophenyl)methyl]sulfanyl}-9-ethyl-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

G754-0041

Molecular Formula

C14H13ClN4OS (C14 H13 ClN4 OS)

Compound Name

8-{[(3-chlorophenyl)methyl]sulfanyl}-9-ethyl-6,9-dihydro-1H-purin-6-one

IUPAC name

8-{[(3-chlorophenyl)methyl]sulfanyl}-9-ethyl-69-dihydro-1H-purin-6-one

SMILES

CCn1c(SCc2cccc(Cl)c2)nc2c1N=CNC2=O

InChI

InChI=1S/C14H13ClN4OS/c1-2-19-12-11(13(20)17-8-16-12)18-14(19)21-7-9-4-3-5-10(15)6-9/h3-6,8H,2,7H2,1H3,(H,16,17,20)

InChI Key

NGDVZQJAPZBQDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27155715

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.8

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

2.825

Distribution Coefficient, logD

2.825

Water Solubility, LogSw

-3.60

Polar Surface Area

47.427

Acid Dissociation Constant (pKa)

10.27

Base Dissociation Constant (pKb)

3.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

G754-0041 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with G754-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G754-0041?
Check Price and Availability of G754-0041, 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 G754-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G754-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G754-0041
  • 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 G754-0041 available by request