C797-1642 Screening compound: 1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-N~4~-phenethyl-4-piperidinecarboxamide

C797-1642 Screening compound: 1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-N~4~-phenethyl-4-piperidinecarboxamide
C797-1642 Screening compound: 1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-N~4~-phenethyl-4-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C797-1642
1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-N~4~-phenethyl-4-piperidinecarboxamide

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

C797-1642

Molecular Formula

C26H31N3O3S (C26 H31 N3 O3 S)

Compound Name

1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-N~4~-phenethyl-4-piperidinecarboxamide

IUPAC name

1-[4-ethyl-5-(4-methylphenyl)-11-dioxo-1lambda62-thiazol-3-yl]-N-(2-phenylethyl)piperidine-4-carboxamide

SMILES

CCC(C(N(CC1)CCC1C(NCCc1ccccc1)=O)=N1)=C(c2ccc(C)cc2)S1(=O)=O

InChI

InChI=1S/C26H31N3O3S/c1-3-23-24(21-11-9-19(2)10-12-21)33(31,32)28-25(23)29-17-14-22(15-18-29)26(30)27-16-13-20-7-5-4-6-8-20/h4-12,22H,3,13-18H2,1-2H3,(H,27,30)

InChI Key

UOBSNJOCIWWHSK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14798840

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.62

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

3.970

Distribution Coefficient, logD

3.970

Water Solubility, LogSw

-3.88

Polar Surface Area

67.385

Acid Dissociation Constant (pKa)

13.94

Base Dissociation Constant (pKb)

0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

References: we are preparing a list of scientific research reports with C797-1642 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C797-1642?
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What is the minimum amount of C797-1642 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-1642
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-1642
  • 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 C797-1642 available by request