C174-0580 Screening compound: N-(2-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)benzamide

C174-0580 Screening compound: N-(2-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)benzamide
C174-0580 Screening compound: N-(2-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C174-0580
N-(2-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)benzamide

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

C174-0580

Molecular Formula

C23H19ClFN3O (C23 H19 ClFN3 O)

Compound Name

N-(2-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)benzamide

IUPAC name

N-(2-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-13-benzodiazol-2-yl}ethyl)benzamide

SMILES

O=C(c1ccccc1)NCCc1nc(cccc2)c2n1Cc(c(F)ccc1)c1Cl

InChI

InChI=1S/C23H19ClFN3O/c24-18-9-6-10-19(25)17(18)15-28-21-12-5-4-11-20(21)27-22(28)13-14-26-23(29)16-7-2-1-3-8-16/h1-12H,13-15H2,(H,26,29)

InChI Key

UYFSFHNPEBTWRZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04459150

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.87

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.707

Distribution Coefficient, logD

4.707

Water Solubility, LogSw

-4.86

Polar Surface Area

35.398

Acid Dissociation Constant (pKa)

13.21

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

C174-0580 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 C174-0580 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C174-0580?
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What is the minimum amount of C174-0580 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C174-0580
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C174-0580
  • 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 C174-0580 available by request