D532-0212 Screening compound: N-(2-fluorophenyl)-2-[(5-{[N-(4-fluorophenyl)methanesulfonamido]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide

D532-0212 Screening compound: N-(2-fluorophenyl)-2-[(5-{[N-(4-fluorophenyl)methanesulfonamido]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
D532-0212 Screening compound: N-(2-fluorophenyl)-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 D532-0212
N-(2-fluorophenyl)-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

D532-0212

Molecular Formula

C19H19F2N5O3S2 (C19 H19 F2 N5 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

Cn1c(SCC(Nc(cccc2)c2F)=O)nnc1CN(c(cc1)ccc1F)S(C)(=O)=O

InChI

InChI=1S/C19H19F2N5O3S2/c1-25-17(11-26(31(2,28)29)14-9-7-13(20)8-10-14)23-24-19(25)30-12-18(27)22-16-6-4-3-5-15(16)21/h3-10H,11-12H2,1-2H3,(H,22,27)

InChI Key

ALJWQEDVRXTYBK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27591685

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.52

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

1.761

Distribution Coefficient, logD

1.761

Water Solubility, LogSw

-2.55

Polar Surface Area

80.068

Acid Dissociation Constant (pKa)

10.91

Base Dissociation Constant (pKb)

1.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

D532-0212 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with D532-0212 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D532-0212?
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What is the minimum amount of D532-0212 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D532-0212
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D532-0212
  • 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 D532-0212 available by request