P532-0212 Screening compound: 3-methoxy-N~1~-{1-[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidyl}propanamide

P532-0212 Screening compound: 3-methoxy-N~1~-{1-[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidyl}propanamide
P532-0212 Screening compound: 3-methoxy-N~1~-{1-[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P532-0212
3-methoxy-N~1~-{1-[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidyl}propanamide

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

P532-0212

Molecular Formula

C20H27N3O4S (C20 H27 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C20H27N3O4S/c1-14-4-6-16(7-5-14)19-15(2)20(22-28(19,25)26)23-11-8-17(9-12-23)21-18(24)10-13-27-3/h4-7,17H,8-13H2,1-3H3,(H,21,24)

InChI Key

JURWEONUAZDVLE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27603953

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.024

Distribution Coefficient, logD

2.024

Water Solubility, LogSw

-2.57

Polar Surface Area

75.477

Acid Dissociation Constant (pKa)

16.34

Base Dissociation Constant (pKb)

0.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

P532-0212 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 P532-0212 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P532-0212?
Check Price and Availability of P532-0212, 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 P532-0212 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P532-0212
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P532-0212
  • 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 P532-0212 available by request