P532-0133 Screening compound: N~1~-[1-(4-methyl-1,1-dioxo-5-phenyl-1H-1lambda~6~-isothiazol-3-yl)-4-piperidyl]-3-phenylpropanamide

P532-0133 Screening compound: N~1~-[1-(4-methyl-1,1-dioxo-5-phenyl-1H-1lambda~6~-isothiazol-3-yl)-4-piperidyl]-3-phenylpropanamide
P532-0133 Screening compound: N~1~-[1-(4-methyl-1,1-dioxo-5-phenyl-1H-1lambda~6~-isothiazol-3-yl)-4-piperidyl]-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P532-0133
N~1~-[1-(4-methyl-1,1-dioxo-5-phenyl-1H-1lambda~6~-isothiazol-3-yl)-4-piperidyl]-3-phenylpropanamide

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

P532-0133

Molecular Formula

C24H27N3O3S (C24 H27 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C(N(CC1)CCC1NC(CCc1ccccc1)=O)=N1)=C(c2ccccc2)S1(=O)=O

InChI

InChI=1S/C24H27N3O3S/c1-18-23(20-10-6-3-7-11-20)31(29,30)26-24(18)27-16-14-21(15-17-27)25-22(28)13-12-19-8-4-2-5-9-19/h2-11,21H,12-17H2,1H3,(H,25,28)

InChI Key

IZWUXWHJTWWDHB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27603917

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.482

Distribution Coefficient, logD

3.482

Water Solubility, LogSw

-3.74

Polar Surface Area

66.863

Acid Dissociation Constant (pKa)

15.73

Base Dissociation Constant (pKb)

0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

P532-0133 in Drug Discovery

Included in Screening Libraries

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

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 P532-0133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P532-0133?
Check Price and Availability of P532-0133, 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 P532-0133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P532-0133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P532-0133
  • 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 P532-0133 available by request