D691-0080 Screening compound: 6-({[2-(2,3-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-9H-purine

D691-0080 Screening compound: 6-({[2-(2,3-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-9H-purine
D691-0080 Screening compound: 6-({[2-(2,3-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-9H-purine alternative view

Chemical Structure Depiction of ChemDiv screening compound D691-0080
6-({[2-(2,3-dimethoxyphenyl)-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

D691-0080

Molecular Formula

C18H17N5O3S (C18 H17 N5 O3 S)

Compound Name

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

IUPAC name

6-({[2-(23-dimethoxyphenyl)-5-methyl-13-oxazol-4-yl]methyl}sulfanyl)-9H-purine

SMILES

Cc1c(CSc2ncnc3c2nc[nH]3)nc(-c(cccc2OC)c2OC)o1

InChI

InChI=1S/C18H17N5O3S/c1-10-12(7-27-18-14-16(20-8-19-14)21-9-22-18)23-17(26-10)11-5-4-6-13(24-2)15(11)25-3/h4-6,8-9H,7H2,1-3H3,(H,19,20,21,22)

InChI Key

QOLXAAXRTDJOQZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14856509

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.449

Distribution Coefficient, logD

2.449

Water Solubility, LogSw

-2.84

Polar Surface Area

76.004

Acid Dissociation Constant (pKa)

10.82

Base Dissociation Constant (pKb)

2.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

D691-0080 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Nucleoside Mimetics Library (2197 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Targets:
  • Kinases
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D691-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D691-0080?
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What is the minimum amount of D691-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D691-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D691-0080
  • 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 D691-0080 available by request