P532-0208 Screening compound: N~3~-{1-[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidyl}-3-furamide

P532-0208 Screening compound: N~3~-{1-[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidyl}-3-furamide
P532-0208 Screening compound: N~3~-{1-[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidyl}-3-furamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P532-0208
N~3~-{1-[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidyl}-3-furamide

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

P532-0208

Molecular Formula

C21H23N3O4S (C21 H23 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C(N(CC1)CCC1NC(c1cocc1)=O)=N1)=C(c2ccc(C)cc2)S1(=O)=O

InChI

InChI=1S/C21H23N3O4S/c1-14-3-5-16(6-4-14)19-15(2)20(23-29(19,26)27)24-10-7-18(8-11-24)22-21(25)17-9-12-28-13-17/h3-6,9,12-13,18H,7-8,10-11H2,1-2H3,(H,22,25)

InChI Key

NAMVTRZOMIJAII-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27603949

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.5

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

2.876

Distribution Coefficient, logD

2.876

Water Solubility, LogSw

-3.42

Polar Surface Area

74.880

Acid Dissociation Constant (pKa)

15.82

Base Dissociation Constant (pKb)

-1.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with P532-0208 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P532-0208?
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What is the minimum amount of P532-0208 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P532-0208
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P532-0208
  • 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 P532-0208 available by request