8016-9161 Screening compound: [5-amino-3-(3-pyridyl)-1H-1,2,4-triazol-1-yl](2-methoxyphenyl)methanone

8016-9161 Screening compound: [5-amino-3-(3-pyridyl)-1H-1,2,4-triazol-1-yl](2-methoxyphenyl)methanone
8016-9161 Screening compound: [5-amino-3-(3-pyridyl)-1H-1,2,4-triazol-1-yl](2-methoxyphenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-9161
[5-amino-3-(3-pyridyl)-1H-1,2,4-triazol-1-yl](2-methoxyphenyl)methanone

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

8016-9161

Molecular Formula

C15H13N5O2 (C15 H13 N5 O2)

Compound Name

[5-amino-3-(3-pyridyl)-1H-1,2,4-triazol-1-yl](2-methoxyphenyl)methanone

IUPAC name

1-(2-methoxybenzoyl)-3-(pyridin-3-yl)-1H-124-triazol-5-amine

SMILES

COc(cccc1)c1C(n1nc(-c2cnccc2)nc1N)=O

InChI

InChI=1S/C15H13N5O2/c1-22-12-7-3-2-6-11(12)14(21)20-15(16)18-13(19-20)10-5-4-8-17-9-10/h2-9H,1H3,(H2,16,18,19)

InChI Key

YLUMVCNEFHTQHD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04355788

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.869

Distribution Coefficient, logD

0.720

Water Solubility, LogSw

-1.31

Polar Surface Area

74.995

Acid Dissociation Constant (pKa)

19.84

Base Dissociation Constant (pKb)

7.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.67

8016-9161 in Drug Discovery

Included in Screening Libraries

Human Proteases Annotated Library (2868 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8016-9161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-9161?
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What is the minimum amount of 8016-9161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-9161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-9161
  • 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 8016-9161 available by request