P532-0165 Screening compound: N~2~-{1-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidyl}-2-thiophenecarboxamide

P532-0165 Screening compound: N~2~-{1-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidyl}-2-thiophenecarboxamide
P532-0165 Screening compound: N~2~-{1-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidyl}-2-thiophenecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P532-0165
N~2~-{1-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidyl}-2-thiophenecarboxamide

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

P532-0165

Molecular Formula

C20H20FN3O3S2 (C20 H20 FN3 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(C(N(CC1)CCC1NC(c1cccs1)=O)=N1)=C(c(cc2)ccc2F)S1(=O)=O

InChI

InChI=1S/C20H20FN3O3S2/c1-13-18(14-4-6-15(21)7-5-14)29(26,27)23-19(13)24-10-8-16(9-11-24)22-20(25)17-3-2-12-28-17/h2-7,12,16H,8-11H2,1H3,(H,22,25)

InChI Key

NACMDKAJTCQRDL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27603934

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.53

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

3.140

Distribution Coefficient, logD

3.140

Water Solubility, LogSw

-3.40

Polar Surface Area

68.095

Acid Dissociation Constant (pKa)

15.73

Base Dissociation Constant (pKb)

-0.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

P532-0165 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with P532-0165 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P532-0165?
Check Price and Availability of P532-0165, 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 P532-0165 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P532-0165
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P532-0165
  • 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 P532-0165 available by request