D331-0478 Screening compound: 3-(furan-2-yl)-1-(2-methylbenzoyl)-N-{[4-(propan-2-yl)phenyl]methyl}-1H-1,2,4-triazol-5-amine

D331-0478 Screening compound: 3-(furan-2-yl)-1-(2-methylbenzoyl)-N-{[4-(propan-2-yl)phenyl]methyl}-1H-1,2,4-triazol-5-amine
D331-0478 Screening compound: 3-(furan-2-yl)-1-(2-methylbenzoyl)-N-{[4-(propan-2-yl)phenyl]methyl}-1H-1,2,4-triazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D331-0478
3-(furan-2-yl)-1-(2-methylbenzoyl)-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

D331-0478

Molecular Formula

C24H24N4O2 (C24 H24 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)c1ccc(CNc2nc(-c3ccco3)nn2C(c2c(C)cccc2)=O)cc1

InChI

InChI=1S/C24H24N4O2/c1-16(2)19-12-10-18(11-13-19)15-25-24-26-22(21-9-6-14-30-21)27-28(24)23(29)20-8-5-4-7-17(20)3/h4-14,16H,15H2,1-3H3,(H,25,26,27)

InChI Key

KCDLKUHENHTFSK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14819551

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.48

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

5.024

Distribution Coefficient, logD

5.024

Water Solubility, LogSw

-4.59

Polar Surface Area

57.805

Acid Dissociation Constant (pKa)

17.86

Base Dissociation Constant (pKb)

-0.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

D331-0478 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 D331-0478 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D331-0478?
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What is the minimum amount of D331-0478 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D331-0478
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D331-0478
  • 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 D331-0478 available by request