D585-0028 Screening compound: N-(4-bromophenyl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamide

D585-0028 Screening compound: N-(4-bromophenyl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamide
D585-0028 Screening compound: N-(4-bromophenyl)-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D585-0028
N-(4-bromophenyl)-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

D585-0028

Molecular Formula

C13H10BrN5O2S (C13 H10 BrN5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Oc1c2nc[nH]c2nc(SCC(Nc(cc2)ccc2Br)=O)n1

InChI

InChI=1S/C13H10BrN5O2S/c14-7-1-3-8(4-2-7)17-9(20)5-22-13-18-11-10(12(21)19-13)15-6-16-11/h1-4,6H,5H2,(H,17,20)(H2,15,16,18,19,21)

InChI Key

HOLKDVSEEQDGEM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10474353

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.22

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.955

Distribution Coefficient, logD

1.415

Water Solubility, LogSw

-2.54

Polar Surface Area

79.996

Acid Dissociation Constant (pKa)

7.01

Base Dissociation Constant (pKb)

2.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

D585-0028 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Nucleoside Mimetics Library (2197 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D585-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D585-0028?
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What is the minimum amount of D585-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D585-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D585-0028
  • 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 D585-0028 available by request