D481-1913 Screening compound: 3-(3-methylphenyl)-1-(pyridine-2-carbonyl)-1H-1,2,4-triazol-5-amine

D481-1913 Screening compound: 3-(3-methylphenyl)-1-(pyridine-2-carbonyl)-1H-1,2,4-triazol-5-amine
D481-1913 Screening compound: 3-(3-methylphenyl)-1-(pyridine-2-carbonyl)-1H-1,2,4-triazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D481-1913
3-(3-methylphenyl)-1-(pyridine-2-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

D481-1913

Molecular Formula

C15H13N5O (C15 H13 N5 O)

Compound Name

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

IUPAC name

3-(3-methylphenyl)-1-(pyridine-2-carbonyl)-1H-124-triazol-5-amine

SMILES

Cc1cccc(-c2nn(C(c3ncccc3)=O)c(N)n2)c1

InChI

InChI=1S/C15H13N5O/c1-10-5-4-6-11(9-10)13-18-15(16)20(19-13)14(21)12-7-2-3-8-17-12/h2-9H,1H3,(H2,16,18,19)

InChI Key

ABAYRPUYCPVCJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14831680

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

279.3

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

1.958

Distribution Coefficient, logD

1.958

Water Solubility, LogSw

-2.25

Polar Surface Area

66.895

Acid Dissociation Constant (pKa)

19.21

Base Dissociation Constant (pKb)

0.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

D481-1913 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)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with D481-1913 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D481-1913?
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What is the minimum amount of D481-1913 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D481-1913
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D481-1913
  • 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 D481-1913 available by request