D116-0313 Screening compound: 1-(furan-2-carbonyl)-N-[(4-methoxyphenyl)methyl]-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine

D116-0313 Screening compound: 1-(furan-2-carbonyl)-N-[(4-methoxyphenyl)methyl]-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine
D116-0313 Screening compound: 1-(furan-2-carbonyl)-N-[(4-methoxyphenyl)methyl]-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D116-0313
1-(furan-2-carbonyl)-N-[(4-methoxyphenyl)methyl]-3-(pyridin-3-yl)-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

D116-0313

Molecular Formula

C20H17N5O3 (C20 H17 N5 O3)

Compound Name

1-(furan-2-carbonyl)-N-[(4-methoxyphenyl)methyl]-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine

IUPAC name

1-(furan-2-carbonyl)-N-[(4-methoxyphenyl)methyl]-3-(pyridin-3-yl)-1H-124-triazol-5-amine

SMILES

COc1ccc(CNc2nc(-c3cnccc3)nn2C(c2ccco2)=O)cc1

InChI

InChI=1S/C20H17N5O3/c1-27-16-8-6-14(7-9-16)12-22-20-23-18(15-4-2-10-21-13-15)24-25(20)19(26)17-5-3-11-28-17/h2-11,13H,12H2,1H3,(H,22,23,24)

InChI Key

YOUZYXOPBZHMJQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06629265

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.158

Distribution Coefficient, logD

2.008

Water Solubility, LogSw

-1.99

Polar Surface Area

74.867

Acid Dissociation Constant (pKa)

18.08

Base Dissociation Constant (pKb)

7.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

D116-0313 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D116-0313 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D116-0313?
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What is the minimum amount of D116-0313 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D116-0313
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D116-0313
  • 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 D116-0313 available by request