D116-0303 Screening compound: 1-(5-{[(4-methoxyphenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)-2-phenoxyethan-1-one

D116-0303 Screening compound: 1-(5-{[(4-methoxyphenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)-2-phenoxyethan-1-one
D116-0303 Screening compound: 1-(5-{[(4-methoxyphenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)-2-phenoxyethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D116-0303
1-(5-{[(4-methoxyphenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)-2-phenoxyethan-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

D116-0303

Molecular Formula

C23H21N5O3 (C23 H21 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

COc1ccc(CNc2nc(-c3cnccc3)nn2C(COc2ccccc2)=O)cc1

InChI

InChI=1S/C23H21N5O3/c1-30-19-11-9-17(10-12-19)14-25-23-26-22(18-6-5-13-24-15-18)27-28(23)21(29)16-31-20-7-3-2-4-8-20/h2-13,15H,14,16H2,1H3,(H,25,26,27)

InChI Key

KJHIKXCSUBTGRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08671632

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.45

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

2.692

Distribution Coefficient, logD

2.542

Water Solubility, LogSw

-2.72

Polar Surface Area

73.260

Acid Dissociation Constant (pKa)

16.28

Base Dissociation Constant (pKb)

7.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

D116-0303 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D116-0303 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D116-0303?
Check Price and Availability of D116-0303, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D116-0303 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D116-0303
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D116-0303
  • 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 D116-0303 available by request