D580-1728 Screening compound: N-(5-chloro-2-hydroxyphenyl)-2-[(4-methyl-5-{[N-(4-methylphenyl)methanesulfonamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide

D580-1728 Screening compound: N-(5-chloro-2-hydroxyphenyl)-2-[(4-methyl-5-{[N-(4-methylphenyl)methanesulfonamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
D580-1728 Screening compound: N-(5-chloro-2-hydroxyphenyl)-2-[(4-methyl-5-{[N-(4-methylphenyl)methanesulfonamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D580-1728
N-(5-chloro-2-hydroxyphenyl)-2-[(4-methyl-5-{[N-(4-methylphenyl)methanesulfonamido]methyl}-4H-1,2,4-triazol-3-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

D580-1728

Molecular Formula

C20H22ClN5O4S2 (C20 H22 ClN5 O4 S2)

Compound Name

N-(5-chloro-2-hydroxyphenyl)-2-[(4-methyl-5-{[N-(4-methylphenyl)methanesulfonamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide

IUPAC name

N-(5-chloro-2-hydroxyphenyl)-2-[(4-methyl-5-{[N-(4-methylphenyl)methanesulfonamido]methyl}-4H-124-triazol-3-yl)sulfanyl]acetamide

SMILES

Cc(cc1)ccc1N(Cc(n1C)nnc1SCC(Nc(cc(cc1)Cl)c1O)=O)S(C)(=O)=O

InChI

InChI=1S/C20H22ClN5O4S2/c1-13-4-7-15(8-5-13)26(32(3,29)30)11-18-23-24-20(25(18)2)31-12-19(28)22-16-10-14(21)6-9-17(16)27/h4-10,27H,11-12H2,1-3H3,(H,22,28)

InChI Key

HWHGTZXFSLUARN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14833798

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.01

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.432

Distribution Coefficient, logD

2.430

Water Solubility, LogSw

-3.10

Polar Surface Area

96.616

Acid Dissociation Constant (pKa)

9.84

Base Dissociation Constant (pKb)

1.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D580-1728 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Antibacterial Compounds Library (13827 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D580-1728 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D580-1728?
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What is the minimum amount of D580-1728 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D580-1728
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D580-1728
  • 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 D580-1728 available by request