D532-0077 Screening compound: 2-[(4-ethyl-5-{[N-(4-fluorophenyl)methanesulfonamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide

D532-0077 Screening compound: 2-[(4-ethyl-5-{[N-(4-fluorophenyl)methanesulfonamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide
D532-0077 Screening compound: 2-[(4-ethyl-5-{[N-(4-fluorophenyl)methanesulfonamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D532-0077
2-[(4-ethyl-5-{[N-(4-fluorophenyl)methanesulfonamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide

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

D532-0077

Molecular Formula

C20H22FN5O3S2 (C20 H22 FN5 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

CCn1c(SCC(Nc2ccccc2)=O)nnc1CN(c(cc1)ccc1F)S(C)(=O)=O

InChI

InChI=1S/C20H22FN5O3S2/c1-3-25-18(13-26(31(2,28)29)17-11-9-15(21)10-12-17)23-24-20(25)30-14-19(27)22-16-7-5-4-6-8-16/h4-12H,3,13-14H2,1-2H3,(H,22,27)

InChI Key

LGPLQMDVGXKLRD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27591671

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.404

Distribution Coefficient, logD

2.404

Water Solubility, LogSw

-2.87

Polar Surface Area

79.680

Acid Dissociation Constant (pKa)

12.80

Base Dissociation Constant (pKb)

2.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with D532-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D532-0077?
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What is the minimum amount of D532-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D532-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D532-0077
  • 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 D532-0077 available by request