D585-0219 Screening compound: 4-{2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamido}-2,5-dimethoxy-N-phenylbenzamide

D585-0219 Screening compound: 4-{2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamido}-2,5-dimethoxy-N-phenylbenzamide
D585-0219 Screening compound: 4-{2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamido}-2,5-dimethoxy-N-phenylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D585-0219
4-{2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamido}-2,5-dimethoxy-N-phenylbenzamide

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

D585-0219

Molecular Formula

C22H20N6O5S (C22 H20 N6 O5 S)

Compound Name

4-{2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamido}-2,5-dimethoxy-N-phenylbenzamide

IUPAC name

4-{2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamido}-25-dimethoxy-N-phenylbenzamide

SMILES

COc(c(C(Nc1ccccc1)=O)c1)cc(NC(CSc2nc(O)c3nc[nH]c3n2)=O)c1OC

InChI

InChI=1S/C22H20N6O5S/c1-32-15-9-14(16(33-2)8-13(15)20(30)25-12-6-4-3-5-7-12)26-17(29)10-34-22-27-19-18(21(31)28-22)23-11-24-19/h3-9,11H,10H2,1-2H3,(H,25,30)(H,26,29)(H2,23,24,27,28,31)

InChI Key

KPFLNOMMXUVDPL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14834059

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.5

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.093

Distribution Coefficient, logD

1.553

Water Solubility, LogSw

-3.22

Polar Surface Area

117.650

Acid Dissociation Constant (pKa)

7.01

Base Dissociation Constant (pKb)

2.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

D585-0219 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Nucleoside Mimetics Library (2197 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D585-0219 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D585-0219?
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What is the minimum amount of D585-0219 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D585-0219
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D585-0219
  • 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 D585-0219 available by request