D439-0402 Screening compound: N-{1-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-2,5-dimethoxybenzene-1-sulfonamide

D439-0402 Screening compound: N-{1-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-2,5-dimethoxybenzene-1-sulfonamide
D439-0402 Screening compound: N-{1-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-2,5-dimethoxybenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D439-0402
N-{1-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-2,5-dimethoxybenzene-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

D439-0402

Molecular Formula

C17H17ClN4O4S (C17 H17 ClN4 O4 S)

Compound Name

N-{1-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-2,5-dimethoxybenzene-1-sulfonamide

IUPAC name

N-{1-[(4-chlorophenyl)methyl]-1H-124-triazol-3-yl}-25-dimethoxybenzene-1-sulfonamide

SMILES

COc(cc1)cc(S(Nc2nn(Cc(cc3)ccc3Cl)cn2)(=O)=O)c1OC

InChI

InChI=1S/C17H17ClN4O4S/c1-25-14-7-8-15(26-2)16(9-14)27(23,24)21-17-19-11-22(20-17)10-12-3-5-13(18)6-4-12/h3-9,11H,10H2,1-2H3,(H,20,21)

InChI Key

SOHDLVCIXJYRSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05121229

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.87

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.911

Distribution Coefficient, logD

1.482

Water Solubility, LogSw

-3.58

Polar Surface Area

81.284

Acid Dissociation Constant (pKa)

5.99

Base Dissociation Constant (pKb)

-0.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

D439-0402 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

PI3K-Targeted Library (17255 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with D439-0402 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D439-0402?
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What is the minimum amount of D439-0402 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D439-0402
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D439-0402
  • 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 D439-0402 available by request