8010-7272 Screening compound: 3-(4-benzylpiperazin-1-yl)-N-(5-chloro-2-methoxyphenyl)propanamide

8010-7272 Screening compound: 3-(4-benzylpiperazin-1-yl)-N-(5-chloro-2-methoxyphenyl)propanamide
8010-7272 Screening compound: 3-(4-benzylpiperazin-1-yl)-N-(5-chloro-2-methoxyphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-7272
3-(4-benzylpiperazin-1-yl)-N-(5-chloro-2-methoxyphenyl)propanamide

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

8010-7272

Molecular Formula

C21H26ClN3O2 (C21 H26 ClN3 O2)

Compound Name

3-(4-benzylpiperazin-1-yl)-N-(5-chloro-2-methoxyphenyl)propanamide

IUPAC name

3-(4-benzylpiperazin-1-yl)-N-(5-chloro-2-methoxyphenyl)propanamide

SMILES

COc(ccc(Cl)c1)c1NC(CCN1CCN(Cc2ccccc2)CC1)=O

InChI

InChI=1S/C21H26ClN3O2/c1-27-20-8-7-18(22)15-19(20)23-21(26)9-10-24-11-13-25(14-12-24)16-17-5-3-2-4-6-17/h2-8,15H,9-14,16H2,1H3,(H,23,26)

InChI Key

PJAICSVJNAZOSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01206920

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.91

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.796

Distribution Coefficient, logD

2.660

Water Solubility, LogSw

-3.48

Polar Surface Area

37.572

Acid Dissociation Constant (pKa)

9.39

Base Dissociation Constant (pKb)

6.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

8010-7272 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

CNS Targets (44014 compounds)

CNS targets activity set (6557 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 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
Therapeutical areas:
  • Nervous system
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with 8010-7272 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-7272?
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What is the minimum amount of 8010-7272 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-7272
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-7272
  • 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 8010-7272 available by request