J029-0126 Screening compound: N-[4-(4-methanesulfonylpiperazin-1-yl)phenyl]-1-phenylcyclopentane-1-carboxamide

J029-0126 Screening compound: N-[4-(4-methanesulfonylpiperazin-1-yl)phenyl]-1-phenylcyclopentane-1-carboxamide
J029-0126 Screening compound: N-[4-(4-methanesulfonylpiperazin-1-yl)phenyl]-1-phenylcyclopentane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J029-0126
N-[4-(4-methanesulfonylpiperazin-1-yl)phenyl]-1-phenylcyclopentane-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

J029-0126

Molecular Formula

C23H29N3O3S (C23 H29 N3 O3 S)

Compound Name

N-[4-(4-methanesulfonylpiperazin-1-yl)phenyl]-1-phenylcyclopentane-1-carboxamide

IUPAC name

N-[4-(4-methanesulfonylpiperazin-1-yl)phenyl]-1-phenylcyclopentane-1-carboxamide

SMILES

CS(N(CC1)CCN1c(cc1)ccc1NC(C1(CCCC1)c1ccccc1)=O)(=O)=O

InChI

InChI=1S/C23H29N3O3S/c1-30(28,29)26-17-15-25(16-18-26)21-11-9-20(10-12-21)24-22(27)23(13-5-6-14-23)19-7-3-2-4-8-19/h2-4,7-12H,5-6,13-18H2,1H3,(H,24,27)

InChI Key

PEZGPDOCZDLREX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11694301

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.496

Distribution Coefficient, logD

3.496

Water Solubility, LogSw

-3.81

Polar Surface Area

58.351

Acid Dissociation Constant (pKa)

11.02

Base Dissociation Constant (pKb)

5.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

J029-0126 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with J029-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J029-0126?
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What is the minimum amount of J029-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J029-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J029-0126
  • 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 J029-0126 available by request