D331-0523 Screening compound: 1-(5-{[(3-chlorophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl)-2-phenylethan-1-one

D331-0523 Screening compound: 1-(5-{[(3-chlorophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl)-2-phenylethan-1-one
D331-0523 Screening compound: 1-(5-{[(3-chlorophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl)-2-phenylethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D331-0523
1-(5-{[(3-chlorophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl)-2-phenylethan-1-one

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

D331-0523

Molecular Formula

C21H17ClN4O2 (C21 H17 ClN4 O2)

Compound Name

1-(5-{[(3-chlorophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl)-2-phenylethan-1-one

IUPAC name

1-(5-{[(3-chlorophenyl)methyl]amino}-3-(furan-2-yl)-1H-124-triazol-1-yl)-2-phenylethan-1-one

SMILES

O=C(Cc1ccccc1)n1nc(-c2ccco2)nc1NCc1cccc(Cl)c1

InChI

InChI=1S/C21H17ClN4O2/c22-17-9-4-8-16(12-17)14-23-21-24-20(18-10-5-11-28-18)25-26(21)19(27)13-15-6-2-1-3-7-15/h1-12H,13-14H2,(H,23,24,25)

InChI Key

XGLFISMKVFZOCV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14819581

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.84

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.174

Distribution Coefficient, logD

4.171

Water Solubility, LogSw

-4.40

Polar Surface Area

57.278

Acid Dissociation Constant (pKa)

9.62

Base Dissociation Constant (pKb)

-1.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

D331-0523 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Proteases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D331-0523 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D331-0523?
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What is the minimum amount of D331-0523 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D331-0523
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D331-0523
  • 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 D331-0523 available by request