P768-0279 Screening compound: N-(2-chlorophenyl)-1-[2-(pyrrolidin-1-yl)ethyl]-1H-1,3-benzodiazole-5-carboxamide

P768-0279 Screening compound: N-(2-chlorophenyl)-1-[2-(pyrrolidin-1-yl)ethyl]-1H-1,3-benzodiazole-5-carboxamide
P768-0279 Screening compound: N-(2-chlorophenyl)-1-[2-(pyrrolidin-1-yl)ethyl]-1H-1,3-benzodiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P768-0279
N-(2-chlorophenyl)-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

P768-0279

Molecular Formula

C20H21ClN4O (C20 H21 ClN4 O)

Compound Name

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

IUPAC name

N-(2-chlorophenyl)-1-[2-(pyrrolidin-1-yl)ethyl]-1H-13-benzodiazole-5-carboxamide

SMILES

O=C(c(cc1)cc2c1n(CCN1CCCC1)cn2)Nc(cccc1)c1Cl

InChI

InChI=1S/C20H21ClN4O/c21-16-5-1-2-6-17(16)23-20(26)15-7-8-19-18(13-15)22-14-25(19)12-11-24-9-3-4-10-24/h1-2,5-8,13-14H,3-4,9-12H2,(H,23,26)

InChI Key

HNWYTPBUKBXLCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27614718

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.87

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

2.865

Distribution Coefficient, logD

1.844

Water Solubility, LogSw

-3.42

Polar Surface Area

37.144

Acid Dissociation Constant (pKa)

9.38

Base Dissociation Constant (pKb)

8.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

P768-0279 in Drug Discovery

Included in Screening Libraries

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

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P768-0279 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P768-0279?
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What is the minimum amount of P768-0279 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P768-0279
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P768-0279
  • 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 P768-0279 available by request