P532-0228 Screening compound: N~1~-{1-[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidyl}-1-cyclobutanecarboxamide

P532-0228 Screening compound: N~1~-{1-[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidyl}-1-cyclobutanecarboxamide
P532-0228 Screening compound: N~1~-{1-[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidyl}-1-cyclobutanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P532-0228
N~1~-{1-[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidyl}-1-cyclobutanecarboxamide

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

P532-0228

Molecular Formula

C21H27N3O3S (C21 H27 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C(N(CC1)CCC1NC(C1CCC1)=O)=N1)=C(c2ccc(C)cc2)S1(=O)=O

InChI

InChI=1S/C21H27N3O3S/c1-14-6-8-16(9-7-14)19-15(2)20(23-28(19,26)27)24-12-10-18(11-13-24)22-21(25)17-4-3-5-17/h6-9,17-18H,3-5,10-13H2,1-2H3,(H,22,25)

InChI Key

FDYQPNWKUQHHON-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27603958

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.53

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

2.363

Distribution Coefficient, logD

2.363

Water Solubility, LogSw

-2.72

Polar Surface Area

67.600

Acid Dissociation Constant (pKa)

15.89

Base Dissociation Constant (pKb)

5.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

P532-0228 in Drug Discovery

Included in Screening Libraries

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

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with P532-0228 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P532-0228?
Check Price and Availability of P532-0228, 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 P532-0228 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P532-0228
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P532-0228
  • 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 P532-0228 available by request