D116-0301 Screening compound: 2-(4-methoxyphenyl)-1-(5-{[(4-methoxyphenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)ethan-1-one

D116-0301 Screening compound: 2-(4-methoxyphenyl)-1-(5-{[(4-methoxyphenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)ethan-1-one
D116-0301 Screening compound: 2-(4-methoxyphenyl)-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 D116-0301
2-(4-methoxyphenyl)-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

D116-0301

Molecular Formula

C24H23N5O3 (C24 H23 N5 O3)

Compound Name

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

IUPAC name

2-(4-methoxyphenyl)-1-(5-{[(4-methoxyphenyl)methyl]amino}-3-(pyridin-3-yl)-1H-124-triazol-1-yl)ethan-1-one

SMILES

COc1ccc(CC(n2nc(-c3cnccc3)nc2NCc(cc2)ccc2OC)=O)cc1

InChI

InChI=1S/C24H23N5O3/c1-31-20-9-5-17(6-10-20)14-22(30)29-24(26-15-18-7-11-21(32-2)12-8-18)27-23(28-29)19-4-3-13-25-16-19/h3-13,16H,14-15H2,1-2H3,(H,26,27,28)

InChI Key

NRNQNGUIAUXWHB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08289859

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.011

Distribution Coefficient, logD

2.859

Water Solubility, LogSw

-2.99

Polar Surface Area

73.305

Acid Dissociation Constant (pKa)

9.62

Base Dissociation Constant (pKb)

7.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D116-0301 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 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 D116-0301 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D116-0301?
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What is the minimum amount of D116-0301 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D116-0301
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D116-0301
  • 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 D116-0301 available by request