D439-0372 Screening compound: 3,4-dichloro-N-{1-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}benzene-1-sulfonamide

D439-0372 Screening compound: 3,4-dichloro-N-{1-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}benzene-1-sulfonamide
D439-0372 Screening compound: 3,4-dichloro-N-{1-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D439-0372
3,4-dichloro-N-{1-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}benzene-1-sulfonamide

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

D439-0372

Molecular Formula

C15H11Cl3N4O2S (C15 H11 Cl3 N4 O2 S)

Compound Name

3,4-dichloro-N-{1-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}benzene-1-sulfonamide

IUPAC name

34-dichloro-N-{1-[(4-chlorophenyl)methyl]-1H-124-triazol-3-yl}benzene-1-sulfonamide

SMILES

O=S(c(cc1)cc(Cl)c1Cl)(Nc1nn(Cc(cc2)ccc2Cl)cn1)=O

InChI

InChI=1S/C15H11Cl3N4O2S/c16-11-3-1-10(2-4-11)8-22-9-19-15(20-22)21-25(23,24)12-5-6-13(17)14(18)7-12/h1-7,9H,8H2,(H,20,21)

InChI Key

CKQYRQXEBDBTLR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14828928

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.7

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.229

Distribution Coefficient, logD

1.891

Water Solubility, LogSw

-4.35

Polar Surface Area

66.110

Acid Dissociation Constant (pKa)

5.06

Base Dissociation Constant (pKb)

-0.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

D439-0372 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro
Therapeutical areas:
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D439-0372 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D439-0372?
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What is the minimum amount of D439-0372 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D439-0372
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D439-0372
  • 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 D439-0372 available by request