P532-0125 Screening compound: 2-cyclopentyl-N~1~-[1-(4-methyl-1,1-dioxo-5-phenyl-1H-1lambda~6~-isothiazol-3-yl)-4-piperidyl]acetamide

P532-0125 Screening compound: 2-cyclopentyl-N~1~-[1-(4-methyl-1,1-dioxo-5-phenyl-1H-1lambda~6~-isothiazol-3-yl)-4-piperidyl]acetamide
P532-0125 Screening compound: 2-cyclopentyl-N~1~-[1-(4-methyl-1,1-dioxo-5-phenyl-1H-1lambda~6~-isothiazol-3-yl)-4-piperidyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P532-0125
2-cyclopentyl-N~1~-[1-(4-methyl-1,1-dioxo-5-phenyl-1H-1lambda~6~-isothiazol-3-yl)-4-piperidyl]acetamide

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

P532-0125

Molecular Formula

C22H29N3O3S (C22 H29 N3 O3 S)

Compound Name

2-cyclopentyl-N~1~-[1-(4-methyl-1,1-dioxo-5-phenyl-1H-1lambda~6~-isothiazol-3-yl)-4-piperidyl]acetamide

IUPAC name

2-cyclopentyl-N-[1-(4-methyl-11-dioxo-5-phenyl-1lambda62-thiazol-3-yl)piperidin-4-yl]acetamide

SMILES

CC(C(N(CC1)CCC1NC(CC1CCCC1)=O)=N1)=C(c2ccccc2)S1(=O)=O

InChI

InChI=1S/C22H29N3O3S/c1-16-21(18-9-3-2-4-10-18)29(27,28)24-22(16)25-13-11-19(12-14-25)23-20(26)15-17-7-5-6-8-17/h2-4,9-10,17,19H,5-8,11-15H2,1H3,(H,23,26)

InChI Key

DUDFKPWQYOTQRX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27603912

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.56

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

3.353

Distribution Coefficient, logD

3.353

Water Solubility, LogSw

-3.76

Polar Surface Area

67.422

Acid Dissociation Constant (pKa)

15.95

Base Dissociation Constant (pKb)

4.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.50

P532-0125 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with P532-0125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P532-0125?
Check Price and Availability of P532-0125, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of P532-0125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P532-0125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P532-0125
  • 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 P532-0125 available by request