7283-0992 Screening compound: 6-{[(3-bromophenyl)methyl]sulfanyl}-9H-purine

7283-0992 Screening compound: 6-{[(3-bromophenyl)methyl]sulfanyl}-9H-purine
7283-0992 Screening compound: 6-{[(3-bromophenyl)methyl]sulfanyl}-9H-purine alternative view

Chemical Structure Depiction of ChemDiv screening compound 7283-0992
6-{[(3-bromophenyl)methyl]sulfanyl}-9H-purine

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

7283-0992

Molecular Formula

C12H9BrN4S (C12 H9 BrN4 S)

Compound Name

6-{[(3-bromophenyl)methyl]sulfanyl}-9H-purine

IUPAC name

6-{[(3-bromophenyl)methyl]sulfanyl}-9H-purine

SMILES

Brc1cc(CSc2ncnc3c2nc[nH]3)ccc1

InChI

InChI=1S/C12H9BrN4S/c13-9-3-1-2-8(4-9)5-18-12-10-11(15-6-14-10)16-7-17-12/h1-4,6-7H,5H2,(H,14,15,16,17)

InChI Key

BROQYWHAFNQVOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04153246

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.2

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.760

Distribution Coefficient, logD

2.760

Water Solubility, LogSw

-2.83

Polar Surface Area

42.535

Acid Dissociation Constant (pKa)

10.82

Base Dissociation Constant (pKb)

2.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

7283-0992 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiparasite Library (23996 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 7283-0992 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7283-0992?
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What is the minimum amount of 7283-0992 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7283-0992
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7283-0992
  • 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 7283-0992 available by request