D439-0394 Screening compound: N-{1-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-4-(propan-2-yl)benzene-1-sulfonamide

D439-0394 Screening compound: N-{1-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-4-(propan-2-yl)benzene-1-sulfonamide
D439-0394 Screening compound: N-{1-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-4-(propan-2-yl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D439-0394
N-{1-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-4-(propan-2-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

D439-0394

Molecular Formula

C18H19ClN4O2S (C18 H19 ClN4 O2 S)

Compound Name

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

IUPAC name

N-{1-[(4-chlorophenyl)methyl]-1H-124-triazol-3-yl}-4-(propan-2-yl)benzene-1-sulfonamide

SMILES

CC(C)c(cc1)ccc1S(Nc1nn(Cc(cc2)ccc2Cl)cn1)(=O)=O

InChI

InChI=1S/C18H19ClN4O2S/c1-13(2)15-5-9-17(10-6-15)26(24,25)22-18-20-12-23(21-18)11-14-3-7-16(19)8-4-14/h3-10,12-13H,11H2,1-2H3,(H,21,22)

InChI Key

LIQKIMACMNZUPH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05121250

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.89

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.423

Distribution Coefficient, logD

2.502

Water Solubility, LogSw

-4.76

Polar Surface Area

66.110

Acid Dissociation Constant (pKa)

5.48

Base Dissociation Constant (pKb)

-0.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

D439-0394 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D439-0394 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D439-0394?
Check Price and Availability of D439-0394, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D439-0394 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D439-0394
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D439-0394
  • 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 D439-0394 available by request