K894-0657 Screening compound: N-[(2-chlorophenyl)methyl]-1-(3-fluorophenyl)-1H-1,3-benzodiazole-5-carboxamide

K894-0657 Screening compound: N-[(2-chlorophenyl)methyl]-1-(3-fluorophenyl)-1H-1,3-benzodiazole-5-carboxamide
K894-0657 Screening compound: N-[(2-chlorophenyl)methyl]-1-(3-fluorophenyl)-1H-1,3-benzodiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K894-0657
N-[(2-chlorophenyl)methyl]-1-(3-fluorophenyl)-1H-1,3-benzodiazole-5-carboxamide

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

K894-0657

Molecular Formula

C21H15ClFN3O (C21 H15 ClFN3 O)

Compound Name

N-[(2-chlorophenyl)methyl]-1-(3-fluorophenyl)-1H-1,3-benzodiazole-5-carboxamide

IUPAC name

N-[(2-chlorophenyl)methyl]-1-(3-fluorophenyl)-1H-13-benzodiazole-5-carboxamide

SMILES

O=C(c(cc1)cc(nc2)c1n2-c1cc(F)ccc1)NCc(cccc1)c1Cl

InChI

InChI=1S/C21H15ClFN3O/c22-18-7-2-1-4-15(18)12-24-21(27)14-8-9-20-19(10-14)25-13-26(20)17-6-3-5-16(23)11-17/h1-11,13H,12H2,(H,24,27)

InChI Key

ZBXHAUBBEKSTIW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15111483

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.82

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.488

Distribution Coefficient, logD

4.487

Water Solubility, LogSw

-4.52

Polar Surface Area

35.296

Acid Dissociation Constant (pKa)

11.75

Base Dissociation Constant (pKb)

4.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

K894-0657 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K894-0657 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K894-0657?
Check Price and Availability of K894-0657, 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 K894-0657 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K894-0657
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K894-0657
  • 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 K894-0657 available by request