P532-0164 Screening compound: N~4~-{1-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidyl}isonicotinamide

P532-0164 Screening compound: N~4~-{1-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidyl}isonicotinamide
P532-0164 Screening compound: N~4~-{1-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidyl}isonicotinamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P532-0164
N~4~-{1-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidyl}isonicotinamide

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

P532-0164

Molecular Formula

C21H21FN4O3S (C21 H21 FN4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C(N(CC1)CCC1NC(c1ccncc1)=O)=N1)=C(c(cc2)ccc2F)S1(=O)=O

InChI

InChI=1S/C21H21FN4O3S/c1-14-19(15-2-4-17(22)5-3-15)30(28,29)25-20(14)26-12-8-18(9-13-26)24-21(27)16-6-10-23-11-7-16/h2-7,10-11,18H,8-9,12-13H2,1H3,(H,24,27)

InChI Key

MKTPCZXGCBFSHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27603933

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.49

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

1.945

Distribution Coefficient, logD

1.945

Water Solubility, LogSw

-2.29

Polar Surface Area

76.505

Acid Dissociation Constant (pKa)

14.10

Base Dissociation Constant (pKb)

4.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with P532-0164 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P532-0164?
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What is the minimum amount of P532-0164 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P532-0164
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P532-0164
  • 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 P532-0164 available by request