J029-0161 Screening compound: 1-(4-bromophenyl)-N-[4-(4-propanoylpiperazin-1-yl)phenyl]cyclopentane-1-carboxamide

J029-0161 Screening compound: 1-(4-bromophenyl)-N-[4-(4-propanoylpiperazin-1-yl)phenyl]cyclopentane-1-carboxamide
J029-0161 Screening compound: 1-(4-bromophenyl)-N-[4-(4-propanoylpiperazin-1-yl)phenyl]cyclopentane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J029-0161
1-(4-bromophenyl)-N-[4-(4-propanoylpiperazin-1-yl)phenyl]cyclopentane-1-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

J029-0161

Molecular Formula

C25H30BrN3O2 (C25 H30 BrN3 O2)

Compound Name

1-(4-bromophenyl)-N-[4-(4-propanoylpiperazin-1-yl)phenyl]cyclopentane-1-carboxamide

IUPAC name

1-(4-bromophenyl)-N-[4-(4-propanoylpiperazin-1-yl)phenyl]cyclopentane-1-carboxamide

SMILES

CCC(N(CC1)CCN1c(cc1)ccc1NC(C1(CCCC1)c(cc1)ccc1Br)=O)=O

InChI

InChI=1S/C25H30BrN3O2/c1-2-23(30)29-17-15-28(16-18-29)22-11-9-21(10-12-22)27-24(31)25(13-3-4-14-25)19-5-7-20(26)8-6-19/h5-12H,2-4,13-18H2,1H3,(H,27,31)

InChI Key

KYCGUGKRMOGISS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09965100

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.44

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

5.061

Distribution Coefficient, logD

5.060

Water Solubility, LogSw

-4.50

Polar Surface Area

43.269

Acid Dissociation Constant (pKa)

11.02

Base Dissociation Constant (pKb)

6.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

J029-0161 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with J029-0161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J029-0161?
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What is the minimum amount of J029-0161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J029-0161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J029-0161
  • 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 J029-0161 available by request