D691-0026 Screening compound: N-[3-(methylsulfanyl)phenyl]-2-(9H-purin-6-ylsulfanyl)acetamide

D691-0026 Screening compound: N-[3-(methylsulfanyl)phenyl]-2-(9H-purin-6-ylsulfanyl)acetamide
D691-0026 Screening compound: N-[3-(methylsulfanyl)phenyl]-2-(9H-purin-6-ylsulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D691-0026
N-[3-(methylsulfanyl)phenyl]-2-(9H-purin-6-ylsulfanyl)acetamide

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

D691-0026

Molecular Formula

C14H13N5OS2 (C14 H13 N5 OS2)

Compound Name

N-[3-(methylsulfanyl)phenyl]-2-(9H-purin-6-ylsulfanyl)acetamide

IUPAC name

N-[3-(methylsulfanyl)phenyl]-2-(9H-purin-6-ylsulfanyl)acetamide

SMILES

CSc1cccc(NC(CSc2ncnc3c2nc[nH]3)=O)c1

InChI

InChI=1S/C14H13N5OS2/c1-21-10-4-2-3-9(5-10)19-11(20)6-22-14-12-13(16-7-15-12)17-8-18-14/h2-5,7-8H,6H2,1H3,(H,19,20)(H,15,16,17,18)

InChI Key

JSBLJYCHWQSHDL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14856494

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.908

Distribution Coefficient, logD

1.908

Water Solubility, LogSw

-2.71

Polar Surface Area

65.684

Acid Dissociation Constant (pKa)

10.82

Base Dissociation Constant (pKb)

1.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with D691-0026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D691-0026?
Check Price and Availability of D691-0026, 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 D691-0026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D691-0026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D691-0026
  • 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 D691-0026 available by request