D071-0054 Screening compound: N-(4-acetamidophenyl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamide

D071-0054 Screening compound: N-(4-acetamidophenyl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamide
D071-0054 Screening compound: N-(4-acetamidophenyl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D071-0054
N-(4-acetamidophenyl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]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

D071-0054

Molecular Formula

C15H14N6O3S (C15 H14 N6 O3 S)

Compound Name

N-(4-acetamidophenyl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamide

IUPAC name

N-(4-acetamidophenyl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamide

SMILES

CC(Nc(cc1)ccc1NC(CSc1nc(O)c2nc[nH]c2n1)=O)=O

InChI

InChI=1S/C15H14N6O3S/c1-8(22)18-9-2-4-10(5-3-9)19-11(23)6-25-15-20-13-12(14(24)21-15)16-7-17-13/h2-5,7H,6H2,1H3,(H,18,22)(H,19,23)(H2,16,17,20,21,24)

InChI Key

PHBFHZPAVXQZSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10474319

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.38

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.322

Distribution Coefficient, logD

-0.218

Water Solubility, LogSw

-1.98

Polar Surface Area

103.258

Acid Dissociation Constant (pKa)

7.01

Base Dissociation Constant (pKb)

2.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

References: we are preparing a list of scientific research reports with D071-0054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D071-0054?
Check Price and Availability of D071-0054, 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 D071-0054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D071-0054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D071-0054
  • 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 D071-0054 available by request