D481-1962 Screening compound: 3-(4-fluorophenyl)-1-(pyridine-4-carbonyl)-1H-1,2,4-triazol-5-amine

D481-1962 Screening compound: 3-(4-fluorophenyl)-1-(pyridine-4-carbonyl)-1H-1,2,4-triazol-5-amine
D481-1962 Screening compound: 3-(4-fluorophenyl)-1-(pyridine-4-carbonyl)-1H-1,2,4-triazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D481-1962
3-(4-fluorophenyl)-1-(pyridine-4-carbonyl)-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

D481-1962

Molecular Formula

C14H10FN5O (C14 H10 FN5 O)

Compound Name

3-(4-fluorophenyl)-1-(pyridine-4-carbonyl)-1H-1,2,4-triazol-5-amine

IUPAC name

3-(4-fluorophenyl)-1-(pyridine-4-carbonyl)-1H-124-triazol-5-amine

SMILES

Nc1nc(-c(cc2)ccc2F)nn1C(c1ccncc1)=O

InChI

InChI=1S/C14H10FN5O/c15-11-3-1-9(2-4-11)12-18-14(16)20(19-12)13(21)10-5-7-17-8-6-10/h1-8H,(H2,16,18,19)

InChI Key

YXTFTNXLANOYOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27588984

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

283.26

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.388

Distribution Coefficient, logD

1.387

Water Solubility, LogSw

-1.22

Polar Surface Area

67.275

Acid Dissociation Constant (pKa)

19.63

Base Dissociation Constant (pKb)

3.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

D481-1962 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Fragments Library (11262 compounds)

Proline Kinase Library (2105 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Nervous system
  • Male
  • Female
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Structure:
  • Fragments
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with D481-1962 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D481-1962?
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What is the minimum amount of D481-1962 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D481-1962
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D481-1962
  • 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 D481-1962 available by request