D691-0031 Screening compound: 6-({[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-9H-purine

D691-0031 Screening compound: 6-({[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-9H-purine
D691-0031 Screening compound: 6-({[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-9H-purine alternative view

Chemical Structure Depiction of ChemDiv screening compound D691-0031
6-({[2-(3,4-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

D691-0031

Molecular Formula

C18H17N5O3S (C18 H17 N5 O3 S)

Compound Name

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

IUPAC name

6-({[2-(34-dimethoxyphenyl)-5-methyl-13-oxazol-4-yl]methyl}sulfanyl)-9H-purine

SMILES

Cc1c(CSc2ncnc3c2nc[nH]3)nc(-c(cc2)cc(OC)c2OC)o1

InChI

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

InChI Key

PZWKANWDEUHQET-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14856498

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

2.225

Distribution Coefficient, logD

2.225

Water Solubility, LogSw

-2.56

Polar Surface Area

75.918

Acid Dissociation Constant (pKa)

10.82

Base Dissociation Constant (pKb)

2.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

D691-0031 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Nucleoside Mimetics Library (2197 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D691-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D691-0031?
Check Price and Availability of D691-0031, 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 D691-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D691-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D691-0031
  • 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 D691-0031 available by request