D532-0503 Screening compound: N-(4-fluorophenyl)-N-[(5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]methanesulfonamide

D532-0503 Screening compound: N-(4-fluorophenyl)-N-[(5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]methanesulfonamide
D532-0503 Screening compound: N-(4-fluorophenyl)-N-[(5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D532-0503
N-(4-fluorophenyl)-N-[(5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]methanesulfonamide

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

D532-0503

Molecular Formula

C22H24FN5O3S2 (C22 H24 FN5 O3 S2)

Compound Name

N-(4-fluorophenyl)-N-[(5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]methanesulfonamide

IUPAC name

N-(4-fluorophenyl)-N-[(5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-4-phenyl-4H-124-triazol-3-yl)methyl]methanesulfonamide

SMILES

CS(N(Cc(n1-c2ccccc2)nnc1SCC(N1CCCC1)=O)c(cc1)ccc1F)(=O)=O

InChI

InChI=1S/C22H24FN5O3S2/c1-33(30,31)27(18-11-9-17(23)10-12-18)15-20-24-25-22(28(20)19-7-3-2-4-8-19)32-16-21(29)26-13-5-6-14-26/h2-4,7-12H,5-6,13-16H2,1H3

InChI Key

NOBMJKXWPRDFHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27591749

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.363

Distribution Coefficient, logD

2.363

Water Solubility, LogSw

-2.62

Polar Surface Area

74.037

Acid Dissociation Constant (pKa)

20.35

Base Dissociation Constant (pKb)

0.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

D532-0503 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D532-0503 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D532-0503?
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What is the minimum amount of D532-0503 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D532-0503
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D532-0503
  • 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 D532-0503 available by request