P532-0204 Screening compound: N~1~-{1-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidyl}-2-methylhexanamide

P532-0204 Screening compound: N~1~-{1-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidyl}-2-methylhexanamide
P532-0204 Screening compound: N~1~-{1-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidyl}-2-methylhexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P532-0204
N~1~-{1-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-4-piperidyl}-2-methylhexanamide

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

P532-0204

Molecular Formula

C22H30FN3O3S (C22 H30 FN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCCCC(C)C(NC(CC1)CCN1C(C(C)=C1c(cc2)ccc2F)=NS1(=O)=O)=O

InChI

InChI=1S/C22H30FN3O3S/c1-4-5-6-15(2)22(27)24-19-11-13-26(14-12-19)21-16(3)20(30(28,29)25-21)17-7-9-18(23)10-8-17/h7-10,15,19H,4-6,11-14H2,1-3H3,(H,24,27)/t15-/m0/s1

InChI Key

LESYPFAFZRPMCW-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27603947

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.049

Distribution Coefficient, logD

4.049

Water Solubility, LogSw

-3.93

Polar Surface Area

67.348

Acid Dissociation Constant (pKa)

15.89

Base Dissociation Constant (pKb)

4.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.50

P532-0204 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P532-0204 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P532-0204?
Check Price and Availability of P532-0204, 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 P532-0204 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P532-0204
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P532-0204
  • 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 P532-0204 available by request