D331-0509 Screening compound: 1-(4-chlorobenzenesulfonyl)-3-(furan-2-yl)-N-{[4-(propan-2-yl)phenyl]methyl}-1H-1,2,4-triazol-5-amine

D331-0509 Screening compound: 1-(4-chlorobenzenesulfonyl)-3-(furan-2-yl)-N-{[4-(propan-2-yl)phenyl]methyl}-1H-1,2,4-triazol-5-amine
D331-0509 Screening compound: 1-(4-chlorobenzenesulfonyl)-3-(furan-2-yl)-N-{[4-(propan-2-yl)phenyl]methyl}-1H-1,2,4-triazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D331-0509
1-(4-chlorobenzenesulfonyl)-3-(furan-2-yl)-N-{[4-(propan-2-yl)phenyl]methyl}-1H-1,2,4-triazol-5-amine

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

D331-0509

Molecular Formula

C22H21ClN4O3S (C22 H21 ClN4 O3 S)

Compound Name

1-(4-chlorobenzenesulfonyl)-3-(furan-2-yl)-N-{[4-(propan-2-yl)phenyl]methyl}-1H-1,2,4-triazol-5-amine

IUPAC name

1-(4-chlorobenzenesulfonyl)-3-(furan-2-yl)-N-{[4-(propan-2-yl)phenyl]methyl}-1H-124-triazol-5-amine

SMILES

CC(C)c1ccc(CNc2nc(-c3ccco3)nn2S(c(cc2)ccc2Cl)(=O)=O)cc1

InChI

InChI=1S/C22H21ClN4O3S/c1-15(2)17-7-5-16(6-8-17)14-24-22-25-21(20-4-3-13-30-20)26-27(22)31(28,29)19-11-9-18(23)10-12-19/h3-13,15H,14H2,1-2H3,(H,24,25,26)

InChI Key

IGTPHHQDTCBNAN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14819571

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.95

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.270

Distribution Coefficient, logD

5.270

Water Solubility, LogSw

-6.19

Polar Surface Area

70.812

Acid Dissociation Constant (pKa)

17.42

Base Dissociation Constant (pKb)

-1.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

D331-0509 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Human Kinases Annotated Library (2415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D331-0509 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D331-0509?
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What is the minimum amount of D331-0509 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D331-0509
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D331-0509
  • 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 D331-0509 available by request