P532-0068 Screening compound: N~1~-[1-(4-methyl-1,1-dioxo-5-phenyl-1H-1lambda~6~-isothiazol-3-yl)-4-piperidyl]-1-cyclohexanecarboxamide

P532-0068 Screening compound: N~1~-[1-(4-methyl-1,1-dioxo-5-phenyl-1H-1lambda~6~-isothiazol-3-yl)-4-piperidyl]-1-cyclohexanecarboxamide
P532-0068 Screening compound: N~1~-[1-(4-methyl-1,1-dioxo-5-phenyl-1H-1lambda~6~-isothiazol-3-yl)-4-piperidyl]-1-cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P532-0068
N~1~-[1-(4-methyl-1,1-dioxo-5-phenyl-1H-1lambda~6~-isothiazol-3-yl)-4-piperidyl]-1-cyclohexanecarboxamide

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

P532-0068

Molecular Formula

C22H29N3O3S (C22 H29 N3 O3 S)

Compound Name

N~1~-[1-(4-methyl-1,1-dioxo-5-phenyl-1H-1lambda~6~-isothiazol-3-yl)-4-piperidyl]-1-cyclohexanecarboxamide

IUPAC name

N-[1-(4-methyl-11-dioxo-5-phenyl-1lambda62-thiazol-3-yl)piperidin-4-yl]cyclohexanecarboxamide

SMILES

CC(C(N(CC1)CCC1NC(C1CCCCC1)=O)=N1)=C(c2ccccc2)S1(=O)=O

InChI

InChI=1S/C22H29N3O3S/c1-16-20(17-8-4-2-5-9-17)29(27,28)24-21(16)25-14-12-19(13-15-25)23-22(26)18-10-6-3-7-11-18/h2,4-5,8-9,18-19H,3,6-7,10-15H2,1H3,(H,23,26)

InChI Key

KQFMETKMIYACPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27603886

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.56

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

3.305

Distribution Coefficient, logD

3.305

Water Solubility, LogSw

-3.58

Polar Surface Area

67.269

Acid Dissociation Constant (pKa)

15.70

Base Dissociation Constant (pKb)

4.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.50

References: we are preparing a list of scientific research reports with P532-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P532-0068?
Check Price and Availability of P532-0068, 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 P532-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P532-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P532-0068
  • 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 P532-0068 available by request