D691-0008 Screening compound: 6-{[(2-methylphenyl)methyl]sulfanyl}-9H-purine

D691-0008 Screening compound: 6-{[(2-methylphenyl)methyl]sulfanyl}-9H-purine
D691-0008 Screening compound: 6-{[(2-methylphenyl)methyl]sulfanyl}-9H-purine alternative view

Chemical Structure Depiction of ChemDiv screening compound D691-0008
6-{[(2-methylphenyl)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

D691-0008

Molecular Formula

C13H12N4S (C13 H12 N4 S)

Compound Name

6-{[(2-methylphenyl)methyl]sulfanyl}-9H-purine

IUPAC name

6-{[(2-methylphenyl)methyl]sulfanyl}-9H-purine

SMILES

Cc1c(CSc2ncnc3c2nc[nH]3)cccc1

InChI

InChI=1S/C13H12N4S/c1-9-4-2-3-5-10(9)6-18-13-11-12(15-7-14-11)16-8-17-13/h2-5,7-8H,6H2,1H3,(H,14,15,16,17)

InChI Key

ZSISWONFONJBBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14856490

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

256.33

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

2.849

Distribution Coefficient, logD

2.849

Water Solubility, LogSw

-2.93

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

15.40

D691-0008 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Fragments Library (11262 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Agro:
  • Agro
Structure:
  • Fragments
Targets:
  • Others

References: we are preparing a list of scientific research reports with D691-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D691-0008?
Check Price and Availability of D691-0008, 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 D691-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D691-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D691-0008
  • 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 D691-0008 available by request