6738-0144 Screening compound: N-[(4-bromophenyl)methyl]-1-[2-(piperidin-1-yl)ethyl]-1H-1,3-benzodiazol-2-amine

6738-0144 Screening compound: N-[(4-bromophenyl)methyl]-1-[2-(piperidin-1-yl)ethyl]-1H-1,3-benzodiazol-2-amine
6738-0144 Screening compound: N-[(4-bromophenyl)methyl]-1-[2-(piperidin-1-yl)ethyl]-1H-1,3-benzodiazol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6738-0144
N-[(4-bromophenyl)methyl]-1-[2-(piperidin-1-yl)ethyl]-1H-1,3-benzodiazol-2-amine

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

6738-0144

Molecular Formula

C21H25BrN4 (C21 H25 BrN4)

Compound Name

N-[(4-bromophenyl)methyl]-1-[2-(piperidin-1-yl)ethyl]-1H-1,3-benzodiazol-2-amine

IUPAC name

N-[(4-bromophenyl)methyl]-1-[2-(piperidin-1-yl)ethyl]-1H-13-benzodiazol-2-amine

SMILES

Brc1ccc(CNc2nc(cccc3)c3n2CCN2CCCCC2)cc1

InChI

InChI=1S/C21H25BrN4/c22-18-10-8-17(9-11-18)16-23-21-24-19-6-2-3-7-20(19)26(21)15-14-25-12-4-1-5-13-25/h2-3,6-11H,1,4-5,12-16H2,(H,23,24)

InChI Key

HONMOBIEDAAPGC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04026554

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.36

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.816

Distribution Coefficient, logD

2.581

Water Solubility, LogSw

-4.66

Polar Surface Area

26.270

Acid Dissociation Constant (pKa)

18.98

Base Dissociation Constant (pKb)

9.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

6738-0144 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 6738-0144 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6738-0144?
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What is the minimum amount of 6738-0144 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6738-0144
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6738-0144
  • 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 6738-0144 available by request