C797-1636 Screening compound: 1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-N~4~-(2-fluorobenzyl)-4-piperidinecarboxamide

C797-1636 Screening compound: 1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-N~4~-(2-fluorobenzyl)-4-piperidinecarboxamide
C797-1636 Screening compound: 1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-N~4~-(2-fluorobenzyl)-4-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C797-1636
1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-N~4~-(2-fluorobenzyl)-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

C797-1636

Molecular Formula

C25H28FN3O3S (C25 H28 FN3 O3 S)

Compound Name

1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-N~4~-(2-fluorobenzyl)-4-piperidinecarboxamide

IUPAC name

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

SMILES

CCC(C(N(CC1)CCC1C(NCc(cccc1)c1F)=O)=N1)=C(c2ccc(C)cc2)S1(=O)=O

InChI

InChI=1S/C25H28FN3O3S/c1-3-21-23(18-10-8-17(2)9-11-18)33(31,32)28-24(21)29-14-12-19(13-15-29)25(30)27-16-20-6-4-5-7-22(20)26/h4-11,19H,3,12-16H2,1-2H3,(H,27,30)

InChI Key

CZELZSQCMCGXOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14798834

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.171

Distribution Coefficient, logD

4.171

Water Solubility, LogSw

-3.99

Polar Surface Area

67.544

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

-0.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

References: we are preparing a list of scientific research reports with C797-1636 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C797-1636?
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What is the minimum amount of C797-1636 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-1636
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-1636
  • 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 C797-1636 available by request