D331-0640 Screening compound: 1-(5-{[(4-bromophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl)-3-phenylpropan-1-one

D331-0640 Screening compound: 1-(5-{[(4-bromophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl)-3-phenylpropan-1-one
D331-0640 Screening compound: 1-(5-{[(4-bromophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl)-3-phenylpropan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D331-0640
1-(5-{[(4-bromophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl)-3-phenylpropan-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

D331-0640

Molecular Formula

C22H19BrN4O2 (C22 H19 BrN4 O2)

Compound Name

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

IUPAC name

1-(5-{[(4-bromophenyl)methyl]amino}-3-(furan-2-yl)-1H-124-triazol-1-yl)-3-phenylpropan-1-one

SMILES

O=C(CCc1ccccc1)n1nc(-c2ccco2)nc1NCc(cc1)ccc1Br

InChI

InChI=1S/C22H19BrN4O2/c23-18-11-8-17(9-12-18)15-24-22-25-21(19-7-4-14-29-19)26-27(22)20(28)13-10-16-5-2-1-3-6-16/h1-9,11-12,14H,10,13,15H2,(H,24,25,26)

InChI Key

CDUQRPALHFNTRE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14819641

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.786

Distribution Coefficient, logD

4.786

Water Solubility, LogSw

-4.89

Polar Surface Area

57.278

Acid Dissociation Constant (pKa)

14.65

Base Dissociation Constant (pKb)

-0.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

D331-0640 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 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
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Proteases
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D331-0640 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D331-0640?
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What is the minimum amount of D331-0640 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D331-0640
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D331-0640
  • 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 D331-0640 available by request