D331-0146 Screening compound: 1-(4-tert-butylbenzoyl)-N-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-1H-1,2,4-triazol-5-amine

D331-0146 Screening compound: 1-(4-tert-butylbenzoyl)-N-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-1H-1,2,4-triazol-5-amine
D331-0146 Screening compound: 1-(4-tert-butylbenzoyl)-N-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-1H-1,2,4-triazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D331-0146
1-(4-tert-butylbenzoyl)-N-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-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

D331-0146

Molecular Formula

C24H23FN4O2 (C24 H23 FN4 O2)

Compound Name

1-(4-tert-butylbenzoyl)-N-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-1H-1,2,4-triazol-5-amine

IUPAC name

1-(4-tert-butylbenzoyl)-N-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-1H-124-triazol-5-amine

SMILES

CC(C)(C)c(cc1)ccc1C(n1nc(-c2ccco2)nc1NCc(cc1)ccc1F)=O

InChI

InChI=1S/C24H23FN4O2/c1-24(2,3)18-10-8-17(9-11-18)22(30)29-23(26-15-16-6-12-19(25)13-7-16)27-21(28-29)20-5-4-14-31-20/h4-14H,15H2,1-3H3,(H,26,27,28)

InChI Key

SWGJQPCJZYPZQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14819370

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.47

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

5.260

Distribution Coefficient, logD

5.260

Water Solubility, LogSw

-5.16

Polar Surface Area

57.805

Acid Dissociation Constant (pKa)

16.72

Base Dissociation Constant (pKb)

-1.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

D331-0146 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 D331-0146 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D331-0146?
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What is the minimum amount of D331-0146 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D331-0146
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D331-0146
  • 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 D331-0146 available by request