P768-0241 Screening compound: N-(3-chloro-4-fluorophenyl)-1-[2-(pyrrolidin-1-yl)ethyl]-1H-1,3-benzodiazole-5-carboxamide

P768-0241 Screening compound: N-(3-chloro-4-fluorophenyl)-1-[2-(pyrrolidin-1-yl)ethyl]-1H-1,3-benzodiazole-5-carboxamide
P768-0241 Screening compound: N-(3-chloro-4-fluorophenyl)-1-[2-(pyrrolidin-1-yl)ethyl]-1H-1,3-benzodiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P768-0241
N-(3-chloro-4-fluorophenyl)-1-[2-(pyrrolidin-1-yl)ethyl]-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

P768-0241

Molecular Formula

C20H20ClFN4O (C20 H20 ClFN4 O)

Compound Name

N-(3-chloro-4-fluorophenyl)-1-[2-(pyrrolidin-1-yl)ethyl]-1H-1,3-benzodiazole-5-carboxamide

IUPAC name

N-(3-chloro-4-fluorophenyl)-1-[2-(pyrrolidin-1-yl)ethyl]-1H-13-benzodiazole-5-carboxamide

SMILES

O=C(c(cc1)cc2c1n(CCN1CCCC1)cn2)Nc(cc1)cc(Cl)c1F

InChI

InChI=1S/C20H20ClFN4O/c21-16-12-15(4-5-17(16)22)24-20(27)14-3-6-19-18(11-14)23-13-26(19)10-9-25-7-1-2-8-25/h3-6,11-13H,1-2,7-10H2,(H,24,27)

InChI Key

ZSKCATVHCGPFGQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27614696

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.86

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.346

Distribution Coefficient, logD

2.325

Water Solubility, LogSw

-3.72

Polar Surface Area

37.841

Acid Dissociation Constant (pKa)

7.59

Base Dissociation Constant (pKb)

8.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

P768-0241 in Drug Discovery

Included in Screening Libraries

Epigenetics Focused Set (26518 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with P768-0241 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P768-0241?
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What is the minimum amount of P768-0241 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P768-0241
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P768-0241
  • 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 P768-0241 available by request