C769-0358 Screening compound: ethyl 1-[3-(4-ethylbenzenesulfonyl)quinolin-4-yl]piperidine-4-carboxylate

C769-0358 Screening compound: ethyl 1-[3-(4-ethylbenzenesulfonyl)quinolin-4-yl]piperidine-4-carboxylate
C769-0358 Screening compound: ethyl 1-[3-(4-ethylbenzenesulfonyl)quinolin-4-yl]piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C769-0358
ethyl 1-[3-(4-ethylbenzenesulfonyl)quinolin-4-yl]piperidine-4-carboxylate

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

C769-0358

Molecular Formula

C25H28N2O4S (C25 H28 N2 O4 S)

Compound Name

ethyl 1-[3-(4-ethylbenzenesulfonyl)quinolin-4-yl]piperidine-4-carboxylate

IUPAC name

ethyl 1-[3-(4-ethylbenzenesulfonyl)quinolin-4-yl]piperidine-4-carboxylate

SMILES

CCc(cc1)ccc1S(c(cnc1ccccc11)c1N(CC1)CCC1C(OCC)=O)(=O)=O

InChI

InChI=1S/C25H28N2O4S/c1-3-18-9-11-20(12-10-18)32(29,30)23-17-26-22-8-6-5-7-21(22)24(23)27-15-13-19(14-16-27)25(28)31-4-2/h5-12,17,19H,3-4,13-16H2,1-2H3

InChI Key

YGACFMNCLXYVQM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06751147

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.046

Distribution Coefficient, logD

5.046

Water Solubility, LogSw

-4.64

Polar Surface Area

62.196

Acid Dissociation Constant (pKa)

22.45

Base Dissociation Constant (pKb)

2.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

C769-0358 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C769-0358 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C769-0358?
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What is the minimum amount of C769-0358 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C769-0358
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C769-0358
  • 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 C769-0358 available by request