D691-0001 Screening compound: 6-({[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-9H-purine

D691-0001 Screening compound: 6-({[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-9H-purine
D691-0001 Screening compound: 6-({[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-9H-purine alternative view

Chemical Structure Depiction of ChemDiv screening compound D691-0001
6-({[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]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

D691-0001

Molecular Formula

C16H12ClN5OS (C16 H12 ClN5 OS)

Compound Name

6-({[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-9H-purine

IUPAC name

6-({[2-(2-chlorophenyl)-5-methyl-13-oxazol-4-yl]methyl}sulfanyl)-9H-purine

SMILES

Cc1c(CSc2ncnc3c2nc[nH]3)nc(-c(cccc2)c2Cl)o1

InChI

InChI=1S/C16H12ClN5OS/c1-9-12(22-15(23-9)10-4-2-3-5-11(10)17)6-24-16-13-14(19-7-18-13)20-8-21-16/h2-5,7-8H,6H2,1H3,(H,18,19,20,21)

InChI Key

MHWNUJMCVONAOB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14856487

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.82

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

3.088

Distribution Coefficient, logD

3.087

Water Solubility, LogSw

-3.65

Polar Surface Area

60.657

Acid Dissociation Constant (pKa)

10.82

Base Dissociation Constant (pKb)

2.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

D691-0001 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D691-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D691-0001?
Check Price and Availability of D691-0001, 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 D691-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D691-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D691-0001
  • 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 D691-0001 available by request