D116-0295 Screening compound: 1-(5-{[(4-methoxyphenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)ethan-1-one

D116-0295 Screening compound: 1-(5-{[(4-methoxyphenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)ethan-1-one
D116-0295 Screening compound: 1-(5-{[(4-methoxyphenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D116-0295
1-(5-{[(4-methoxyphenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)ethan-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

D116-0295

Molecular Formula

C17H17N5O2 (C17 H17 N5 O2)

Compound Name

1-(5-{[(4-methoxyphenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)ethan-1-one

IUPAC name

1-(5-{[(4-methoxyphenyl)methyl]amino}-3-(pyridin-3-yl)-1H-124-triazol-1-yl)ethan-1-one

SMILES

CC(n1nc(-c2cnccc2)nc1NCc(cc1)ccc1OC)=O

InChI

InChI=1S/C17H17N5O2/c1-12(23)22-17(19-10-13-5-7-15(24-2)8-6-13)20-16(21-22)14-4-3-9-18-11-14/h3-9,11H,10H2,1-2H3,(H,19,20,21)

InChI Key

LHUKOASZSVQWLA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07393311

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.478

Distribution Coefficient, logD

1.328

Water Solubility, LogSw

-1.12

Polar Surface Area

67.028

Acid Dissociation Constant (pKa)

16.04

Base Dissociation Constant (pKb)

7.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

D116-0295 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Human Proteases Annotated Library (2868 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with D116-0295 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D116-0295?
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What is the minimum amount of D116-0295 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D116-0295
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D116-0295
  • 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 D116-0295 available by request