P768-0266 Screening compound: N-[(3,4-dimethylphenyl)methyl]-1-[2-(pyrrolidin-1-yl)ethyl]-1H-1,3-benzodiazole-5-carboxamide

P768-0266 Screening compound: N-[(3,4-dimethylphenyl)methyl]-1-[2-(pyrrolidin-1-yl)ethyl]-1H-1,3-benzodiazole-5-carboxamide
P768-0266 Screening compound: N-[(3,4-dimethylphenyl)methyl]-1-[2-(pyrrolidin-1-yl)ethyl]-1H-1,3-benzodiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P768-0266
N-[(3,4-dimethylphenyl)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

P768-0266

Molecular Formula

C23H28N4O (C23 H28 N4 O)

Compound Name

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

IUPAC name

N-[(34-dimethylphenyl)methyl]-1-[2-(pyrrolidin-1-yl)ethyl]-1H-13-benzodiazole-5-carboxamide

SMILES

Cc1c(C)cc(CNC(c(cc2)cc3c2n(CCN2CCCC2)cn3)=O)cc1

InChI

InChI=1S/C23H28N4O/c1-17-5-6-19(13-18(17)2)15-24-23(28)20-7-8-22-21(14-20)25-16-27(22)12-11-26-9-3-4-10-26/h5-8,13-14,16H,3-4,9-12,15H2,1-2H3,(H,24,28)

InChI Key

PUGRVSUWEQSSIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27614714

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.5

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

3.302

Distribution Coefficient, logD

2.281

Water Solubility, LogSw

-3.31

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

39.10

P768-0266 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P768-0266 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P768-0266?
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What is the minimum amount of P768-0266 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P768-0266
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P768-0266
  • 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 P768-0266 available by request