D691-0125 Screening compound: N-(2-methoxy-5-methylphenyl)-2-(9H-purin-6-ylsulfanyl)acetamide

D691-0125 Screening compound: N-(2-methoxy-5-methylphenyl)-2-(9H-purin-6-ylsulfanyl)acetamide
D691-0125 Screening compound: N-(2-methoxy-5-methylphenyl)-2-(9H-purin-6-ylsulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D691-0125
N-(2-methoxy-5-methylphenyl)-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

D691-0125

Molecular Formula

C15H15N5O2S (C15 H15 N5 O2 S)

Compound Name

N-(2-methoxy-5-methylphenyl)-2-(9H-purin-6-ylsulfanyl)acetamide

IUPAC name

N-(2-methoxy-5-methylphenyl)-2-(9H-purin-6-ylsulfanyl)acetamide

SMILES

Cc(cc1)cc(NC(CSc2ncnc3c2nc[nH]3)=O)c1OC

InChI

InChI=1S/C15H15N5O2S/c1-9-3-4-11(22-2)10(5-9)20-12(21)6-23-15-13-14(17-7-16-13)18-8-19-15/h3-5,7-8H,6H2,1-2H3,(H,20,21)(H,16,17,18,19)

InChI Key

HKXMZISEEFERSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27596602

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.284

Distribution Coefficient, logD

1.284

Water Solubility, LogSw

-2.41

Polar Surface Area

72.617

Acid Dissociation Constant (pKa)

10.82

Base Dissociation Constant (pKb)

1.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D691-0125 in Drug Discovery

Included in Screening Libraries

Nucleoside Mimetics Library (2197 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D691-0125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D691-0125?
Check Price and Availability of D691-0125, 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 D691-0125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D691-0125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D691-0125
  • 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 D691-0125 available by request