D331-0119 Screening compound: 1-(5-{[(4-fluorophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl)hexan-1-one

D331-0119 Screening compound: 1-(5-{[(4-fluorophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl)hexan-1-one
D331-0119 Screening compound: 1-(5-{[(4-fluorophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl)hexan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D331-0119
1-(5-{[(4-fluorophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl)hexan-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

D331-0119

Molecular Formula

C19H21FN4O2 (C19 H21 FN4 O2)

Compound Name

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

IUPAC name

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

SMILES

CCCCCC(n1nc(-c2ccco2)nc1NCc(cc1)ccc1F)=O

InChI

InChI=1S/C19H21FN4O2/c1-2-3-4-7-17(25)24-19(21-13-14-8-10-15(20)11-9-14)22-18(23-24)16-6-5-12-26-16/h5-6,8-12H,2-4,7,13H2,1H3,(H,21,22,23)

InChI Key

NTBLKVJNUPLMCW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14819351

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.961

Distribution Coefficient, logD

3.961

Water Solubility, LogSw

-3.87

Polar Surface Area

57.550

Acid Dissociation Constant (pKa)

15.19

Base Dissociation Constant (pKb)

-0.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

D331-0119 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D331-0119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D331-0119?
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What is the minimum amount of D331-0119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D331-0119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D331-0119
  • 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 D331-0119 available by request