P532-0027 Screening compound: N~1~-{1-[5-(4-chlorophenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidyl}-1-cyclopentanecarboxamide

P532-0027 Screening compound: N~1~-{1-[5-(4-chlorophenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidyl}-1-cyclopentanecarboxamide
P532-0027 Screening compound: N~1~-{1-[5-(4-chlorophenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidyl}-1-cyclopentanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P532-0027
N~1~-{1-[5-(4-chlorophenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidyl}-1-cyclopentanecarboxamide

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

P532-0027

Molecular Formula

C21H26ClN3O3S (C21 H26 ClN3 O3 S)

Compound Name

N~1~-{1-[5-(4-chlorophenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidyl}-1-cyclopentanecarboxamide

IUPAC name

N-{1-[5-(4-chlorophenyl)-4-methyl-11-dioxo-1lambda62-thiazol-3-yl]piperidin-4-yl}cyclopentanecarboxamide

SMILES

CC(C(N(CC1)CCC1NC(C1CCCC1)=O)=N1)=C(c(cc2)ccc2Cl)S1(=O)=O

InChI

InChI=1S/C21H26ClN3O3S/c1-14-19(15-6-8-17(22)9-7-15)29(27,28)24-20(14)25-12-10-18(11-13-25)23-21(26)16-4-2-3-5-16/h6-9,16,18H,2-5,10-13H2,1H3,(H,23,26)

InChI Key

KFIDJVSSINESBR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27603884

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.97

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.671

Distribution Coefficient, logD

3.671

Water Solubility, LogSw

-4.15

Polar Surface Area

67.635

Acid Dissociation Constant (pKa)

15.70

Base Dissociation Constant (pKb)

0.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

P532-0027 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P532-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P532-0027?
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What is the minimum amount of P532-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P532-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P532-0027
  • 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 P532-0027 available by request