P768-0264 Screening compound: N-[(3-methylphenyl)methyl]-1-[2-(pyrrolidin-1-yl)ethyl]-1H-1,3-benzodiazole-5-carboxamide

P768-0264 Screening compound: N-[(3-methylphenyl)methyl]-1-[2-(pyrrolidin-1-yl)ethyl]-1H-1,3-benzodiazole-5-carboxamide
P768-0264 Screening compound: N-[(3-methylphenyl)methyl]-1-[2-(pyrrolidin-1-yl)ethyl]-1H-1,3-benzodiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P768-0264
N-[(3-methylphenyl)methyl]-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

P768-0264

Molecular Formula

C22H26N4O (C22 H26 N4 O)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(CNC(c(cc2)cc3c2n(CCN2CCCC2)cn3)=O)c1

InChI

InChI=1S/C22H26N4O/c1-17-5-4-6-18(13-17)15-23-22(27)19-7-8-21-20(14-19)24-16-26(21)12-11-25-9-2-3-10-25/h4-8,13-14,16H,2-3,9-12,15H2,1H3,(H,23,27)

InChI Key

BKKCNKVASJRFTI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27614713

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.970

Distribution Coefficient, logD

1.949

Water Solubility, LogSw

-3.16

Polar Surface Area

39.163

Acid Dissociation Constant (pKa)

11.75

Base Dissociation Constant (pKb)

8.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

P768-0264 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P768-0264 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P768-0264?
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What is the minimum amount of P768-0264 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P768-0264
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P768-0264
  • 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 P768-0264 available by request