P768-0261 Screening compound: N-(3-cyanophenyl)-1-[2-(pyrrolidin-1-yl)ethyl]-1H-1,3-benzodiazole-5-carboxamide

P768-0261 Screening compound: N-(3-cyanophenyl)-1-[2-(pyrrolidin-1-yl)ethyl]-1H-1,3-benzodiazole-5-carboxamide
P768-0261 Screening compound: N-(3-cyanophenyl)-1-[2-(pyrrolidin-1-yl)ethyl]-1H-1,3-benzodiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P768-0261
N-(3-cyanophenyl)-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

P768-0261

Molecular Formula

C21H21N5O (C21 H21 N5 O)

Compound Name

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

IUPAC name

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

SMILES

N#Cc1cccc(NC(c(cc2)cc3c2n(CCN2CCCC2)cn3)=O)c1

InChI

InChI=1S/C21H21N5O/c22-14-16-4-3-5-18(12-16)24-21(27)17-6-7-20-19(13-17)23-15-26(20)11-10-25-8-1-2-9-25/h3-7,12-13,15H,1-2,8-11H2,(H,24,27)

InChI Key

LJNSAJAGKQGAJU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27614711

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.477

Distribution Coefficient, logD

1.456

Water Solubility, LogSw

-2.94

Polar Surface Area

54.898

Acid Dissociation Constant (pKa)

9.45

Base Dissociation Constant (pKb)

8.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

P768-0261 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 P768-0261 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P768-0261?
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What is the minimum amount of P768-0261 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P768-0261
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P768-0261
  • 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 P768-0261 available by request