D331-0475 Screening compound: 1-(3,4-dimethoxybenzoyl)-3-(furan-2-yl)-N-{[4-(propan-2-yl)phenyl]methyl}-1H-1,2,4-triazol-5-amine

D331-0475 Screening compound: 1-(3,4-dimethoxybenzoyl)-3-(furan-2-yl)-N-{[4-(propan-2-yl)phenyl]methyl}-1H-1,2,4-triazol-5-amine
D331-0475 Screening compound: 1-(3,4-dimethoxybenzoyl)-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 D331-0475
1-(3,4-dimethoxybenzoyl)-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

D331-0475

Molecular Formula

C25H26N4O4 (C25 H26 N4 O4)

Compound Name

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

IUPAC name

1-(34-dimethoxybenzoyl)-3-(furan-2-yl)-N-{[4-(propan-2-yl)phenyl]methyl}-1H-124-triazol-5-amine

SMILES

CC(C)c1ccc(CNc2nc(-c3ccco3)nn2C(c(cc2)cc(OC)c2OC)=O)cc1

InChI

InChI=1S/C25H26N4O4/c1-16(2)18-9-7-17(8-10-18)15-26-25-27-23(21-6-5-13-33-21)28-29(25)24(30)19-11-12-20(31-3)22(14-19)32-4/h5-14,16H,15H2,1-4H3,(H,26,27,28)

InChI Key

AMSNFJPUOMQISA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14819549

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.315

Distribution Coefficient, logD

4.315

Water Solubility, LogSw

-4.31

Polar Surface Area

73.066

Acid Dissociation Constant (pKa)

17.14

Base Dissociation Constant (pKb)

-1.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

D331-0475 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 D331-0475 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D331-0475?
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What is the minimum amount of D331-0475 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D331-0475
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D331-0475
  • 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 D331-0475 available by request