D532-0004 Screening compound: N-(2,4-dimethylphenyl)-2-[(5-{[N-(4-fluorophenyl)methanesulfonamido]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide

D532-0004 Screening compound: N-(2,4-dimethylphenyl)-2-[(5-{[N-(4-fluorophenyl)methanesulfonamido]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
D532-0004 Screening compound: N-(2,4-dimethylphenyl)-2-[(5-{[N-(4-fluorophenyl)methanesulfonamido]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D532-0004
N-(2,4-dimethylphenyl)-2-[(5-{[N-(4-fluorophenyl)methanesulfonamido]methyl}-4-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

D532-0004

Molecular Formula

C21H24FN5O3S2 (C21 H24 FN5 O3 S2)

Compound Name

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

IUPAC name

N-(24-dimethylphenyl)-2-[(5-{[N-(4-fluorophenyl)methanesulfonamido]methyl}-4-methyl-4H-124-triazol-3-yl)sulfanyl]acetamide

SMILES

Cc(cc1)cc(C)c1NC(CSc1nnc(CN(c(cc2)ccc2F)S(C)(=O)=O)n1C)=O

InChI

InChI=1S/C21H24FN5O3S2/c1-14-5-10-18(15(2)11-14)23-20(28)13-31-21-25-24-19(26(21)3)12-27(32(4,29)30)17-8-6-16(22)7-9-17/h5-11H,12-13H2,1-4H3,(H,23,28)

InChI Key

ZQUBEBXJMSAPEL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27591641

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.463

Distribution Coefficient, logD

2.463

Water Solubility, LogSw

-2.85

Polar Surface Area

80.068

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

1.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with D532-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D532-0004?
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What is the minimum amount of D532-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D532-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D532-0004
  • 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 D532-0004 available by request