P532-0275 Screening compound: N~1~-{1-[5-(3-chlorophenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidyl}-1-cyclobutanecarboxamide

P532-0275 Screening compound: N~1~-{1-[5-(3-chlorophenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidyl}-1-cyclobutanecarboxamide
P532-0275 Screening compound: N~1~-{1-[5-(3-chlorophenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidyl}-1-cyclobutanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P532-0275
N~1~-{1-[5-(3-chlorophenyl)-4-methyl-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

P532-0275

Molecular Formula

C20H24ClN3O3S (C20 H24 ClN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C(N(CC1)CCC1NC(C1CCC1)=O)=N1)=C(c2cccc(Cl)c2)S1(=O)=O

InChI

InChI=1S/C20H24ClN3O3S/c1-13-18(15-6-3-7-16(21)12-15)28(26,27)23-19(13)24-10-8-17(9-11-24)22-20(25)14-4-2-5-14/h3,6-7,12,14,17H,2,4-5,8-11H2,1H3,(H,22,25)

InChI Key

BWSNQEPTXMIPEP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27603980

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.95

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

2.537

Distribution Coefficient, logD

2.537

Water Solubility, LogSw

-3.55

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

50.00

P532-0275 in Drug Discovery

Included in Screening Libraries

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P532-0275 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P532-0275?
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What is the minimum amount of P532-0275 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P532-0275
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P532-0275
  • 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 P532-0275 available by request