P532-0224 Screening compound: N~2~-{1-[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidyl}tetrahydro-2-furancarboxamide

P532-0224 Screening compound: N~2~-{1-[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidyl}tetrahydro-2-furancarboxamide
P532-0224 Screening compound: N~2~-{1-[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidyl}tetrahydro-2-furancarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P532-0224
N~2~-{1-[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidyl}tetrahydro-2-furancarboxamide

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

P532-0224

Molecular Formula

C21H27N3O4S (C21 H27 N3 O4 S)

Compound Name

N~2~-{1-[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidyl}tetrahydro-2-furancarboxamide

IUPAC name

N-{1-[4-methyl-5-(4-methylphenyl)-11-dioxo-1lambda62-thiazol-3-yl]piperidin-4-yl}oxolane-2-carboxamide

SMILES

CC(C(N(CC1)CCC1NC(C1OCCC1)=O)=N1)=C(c2ccc(C)cc2)S1(=O)=O

InChI

InChI=1S/C21H27N3O4S/c1-14-5-7-16(8-6-14)19-15(2)20(23-29(19,26)27)24-11-9-17(10-12-24)22-21(25)18-4-3-13-28-18/h5-8,17-18H,3-4,9-13H2,1-2H3,(H,22,25)/t18-/m0/s1

InChI Key

LWGXSBGMLCSNGT-SFHVURJKSA-N

MDL Number (MFCD)

MFCD27603957

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.208

Distribution Coefficient, logD

2.208

Water Solubility, LogSw

-2.61

Polar Surface Area

75.489

Acid Dissociation Constant (pKa)

15.95

Base Dissociation Constant (pKb)

3.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.40

P532-0224 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 P532-0224 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P532-0224?
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What is the minimum amount of P532-0224 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P532-0224
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P532-0224
  • 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 P532-0224 available by request