D116-0268 Screening compound: N-benzyl-1-(4-fluorobenzoyl)-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine

D116-0268 Screening compound: N-benzyl-1-(4-fluorobenzoyl)-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine
D116-0268 Screening compound: N-benzyl-1-(4-fluorobenzoyl)-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D116-0268
N-benzyl-1-(4-fluorobenzoyl)-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

D116-0268

Molecular Formula

C21H16FN5O (C21 H16 FN5 O)

Compound Name

N-benzyl-1-(4-fluorobenzoyl)-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine

IUPAC name

N-benzyl-1-(4-fluorobenzoyl)-3-(pyridin-3-yl)-1H-124-triazol-5-amine

SMILES

O=C(c(cc1)ccc1F)n1nc(-c2cnccc2)nc1NCc1ccccc1

InChI

InChI=1S/C21H16FN5O/c22-18-10-8-16(9-11-18)20(28)27-21(24-13-15-5-2-1-3-6-15)25-19(26-27)17-7-4-12-23-14-17/h1-12,14H,13H2,(H,24,25,26)

InChI Key

MWKIXFQKOWGZJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14812064

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.035

Distribution Coefficient, logD

2.886

Water Solubility, LogSw

-3.05

Polar Surface Area

58.745

Acid Dissociation Constant (pKa)

17.09

Base Dissociation Constant (pKb)

7.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

D116-0268 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Anticancer Library (62698 compounds)

BRD4 Targeted Library (4534 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic
Targets:
  • Others
  • Proteases

References: we are preparing a list of scientific research reports with D116-0268 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D116-0268?
Check Price and Availability of D116-0268, 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 D116-0268 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D116-0268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D116-0268
  • 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 D116-0268 available by request