P532-0235 Screening compound: 4-methyl-N~1~-{1-[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidyl}pentanamide

P532-0235 Screening compound: 4-methyl-N~1~-{1-[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidyl}pentanamide
P532-0235 Screening compound: 4-methyl-N~1~-{1-[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidyl}pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P532-0235
4-methyl-N~1~-{1-[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidyl}pentanamide

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

P532-0235

Molecular Formula

C22H31N3O3S (C22 H31 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CCC(NC(CC1)CCN1C(C(C)=C1c2ccc(C)cc2)=NS1(=O)=O)=O

InChI

InChI=1S/C22H31N3O3S/c1-15(2)5-10-20(26)23-19-11-13-25(14-12-19)22-17(4)21(29(27,28)24-22)18-8-6-16(3)7-9-18/h6-9,15,19H,5,10-14H2,1-4H3,(H,23,26)

InChI Key

BSRDEROUTOITGZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27603963

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.57

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

3.875

Distribution Coefficient, logD

3.875

Water Solubility, LogSw

-3.84

Polar Surface Area

67.135

Acid Dissociation Constant (pKa)

16.14

Base Dissociation Constant (pKb)

4.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.50

P532-0235 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P532-0235 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P532-0235?
Check Price and Availability of P532-0235, 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 P532-0235 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P532-0235
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P532-0235
  • 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 P532-0235 available by request