F780-6456 Screening compound: N-{2-[2-(1H-1,3-benzodiazol-2-yl)ethyl]phenyl}-3-cyanobenzamide

F780-6456 Screening compound: N-{2-[2-(1H-1,3-benzodiazol-2-yl)ethyl]phenyl}-3-cyanobenzamide
F780-6456 Screening compound: N-{2-[2-(1H-1,3-benzodiazol-2-yl)ethyl]phenyl}-3-cyanobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F780-6456
N-{2-[2-(1H-1,3-benzodiazol-2-yl)ethyl]phenyl}-3-cyanobenzamide

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

F780-6456

Molecular Formula

C23H18N4O (C23 H18 N4 O)

Compound Name

N-{2-[2-(1H-1,3-benzodiazol-2-yl)ethyl]phenyl}-3-cyanobenzamide

IUPAC name

N-{2-[2-(1H-13-benzodiazol-2-yl)ethyl]phenyl}-3-cyanobenzamide

SMILES

N#Cc1cccc(C(Nc2c(CCc3nc(cccc4)c4[nH]3)cccc2)=O)c1

InChI

InChI=1S/C23H18N4O/c24-15-16-6-5-8-18(14-16)23(28)27-19-9-2-1-7-17(19)12-13-22-25-20-10-3-4-11-21(20)26-22/h1-11,14H,12-13H2,(H,25,26)(H,27,28)

InChI Key

QEXVSINQHRCRJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14966348

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.489

Distribution Coefficient, logD

4.428

Water Solubility, LogSw

-4.54

Polar Surface Area

59.698

Acid Dissociation Constant (pKa)

10.21

Base Dissociation Constant (pKb)

6.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

F780-6456 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with F780-6456 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F780-6456?
Check Price and Availability of F780-6456, 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 F780-6456 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F780-6456
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F780-6456
  • 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 F780-6456 available by request