C797-1525 Screening compound: 1-[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-N~4~-[2-(2-furyl)-1-methylethyl]-4-piperidinecarboxamide

C797-1525 Screening compound: 1-[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-N~4~-[2-(2-furyl)-1-methylethyl]-4-piperidinecarboxamide
C797-1525 Screening compound: 1-[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-N~4~-[2-(2-furyl)-1-methylethyl]-4-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C797-1525
1-[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-N~4~-[2-(2-furyl)-1-methylethyl]-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

C797-1525

Molecular Formula

C25H31N3O4S (C25 H31 N3 O4 S)

Compound Name

1-[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]-N~4~-[2-(2-furyl)-1-methylethyl]-4-piperidinecarboxamide

IUPAC name

1-[5-(34-dimethylphenyl)-4-methyl-11-dioxo-1lambda62-thiazol-3-yl]-N-[1-(furan-2-yl)propan-2-yl]piperidine-4-carboxamide

SMILES

CC(Cc1ccco1)NC(C(CC1)CCN1C(C(C)=C1c2cc(C)c(C)cc2)=NS1(=O)=O)=O

InChI

InChI=1S/C25H31N3O4S/c1-16-7-8-21(14-17(16)2)23-19(4)24(27-33(23,30)31)28-11-9-20(10-12-28)25(29)26-18(3)15-22-6-5-13-32-22/h5-8,13-14,18,20H,9-12,15H2,1-4H3,(H,26,29)/t18-/m0/s1

InChI Key

MTSDHAPRENYDOT-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14798752

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.143

Distribution Coefficient, logD

4.143

Water Solubility, LogSw

-4.09

Polar Surface Area

74.734

Acid Dissociation Constant (pKa)

14.29

Base Dissociation Constant (pKb)

0.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

C797-1525 in Drug Discovery

Included in Screening Libraries

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C797-1525 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C797-1525?
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What is the minimum amount of C797-1525 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-1525
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-1525
  • 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 C797-1525 available by request