D580-1730 Screening compound: N-(2-hydroxyphenyl)-2-[(4-methyl-5-{[N-(4-methylphenyl)methanesulfonamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide

D580-1730 Screening compound: N-(2-hydroxyphenyl)-2-[(4-methyl-5-{[N-(4-methylphenyl)methanesulfonamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
D580-1730 Screening compound: N-(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 D580-1730
N-(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

D580-1730

Molecular Formula

C20H23N5O4S2 (C20 H23 N5 O4 S2)

Compound Name

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

IUPAC name

N-(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(cccc1)c1O)=O)S(C)(=O)=O

InChI

InChI=1S/C20H23N5O4S2/c1-14-8-10-15(11-9-14)25(31(3,28)29)12-18-22-23-20(24(18)2)30-13-19(27)21-16-6-4-5-7-17(16)26/h4-11,26H,12-13H2,1-3H3,(H,21,27)

InChI Key

MMZCAOBIQPHDMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14833800

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.57

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

1.907

Distribution Coefficient, logD

1.906

Water Solubility, LogSw

-2.49

Polar Surface Area

96.616

Acid Dissociation Constant (pKa)

10.19

Base Dissociation Constant (pKb)

1.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D580-1730 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D580-1730 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D580-1730?
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What is the minimum amount of D580-1730 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D580-1730
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D580-1730
  • 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 D580-1730 available by request