C769-0692 Screening compound: ethyl 1-[3-(4-chlorobenzenesulfonyl)quinolin-4-yl]piperidine-3-carboxylate

C769-0692 Screening compound: ethyl 1-[3-(4-chlorobenzenesulfonyl)quinolin-4-yl]piperidine-3-carboxylate
C769-0692 Screening compound: ethyl 1-[3-(4-chlorobenzenesulfonyl)quinolin-4-yl]piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C769-0692
ethyl 1-[3-(4-chlorobenzenesulfonyl)quinolin-4-yl]piperidine-3-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

C769-0692

Molecular Formula

C23H23ClN2O4S (C23 H23 ClN2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(CCC1)CN1c(c1ccccc1nc1)c1S(c(cc1)ccc1Cl)(=O)=O)=O

InChI

InChI=1S/C23H23ClN2O4S/c1-2-30-23(27)16-6-5-13-26(15-16)22-19-7-3-4-8-20(19)25-14-21(22)31(28,29)18-11-9-17(24)10-12-18/h3-4,7-12,14,16H,2,5-6,13,15H2,1H3/t16-/m0/s1

InChI Key

LATVYRWSUXUVGQ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD07190240

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.97

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.677

Distribution Coefficient, logD

4.677

Water Solubility, LogSw

-4.87

Polar Surface Area

62.129

Acid Dissociation Constant (pKa)

22.05

Base Dissociation Constant (pKb)

2.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

C769-0692 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C769-0692 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C769-0692?
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What is the minimum amount of C769-0692 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C769-0692
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C769-0692
  • 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 C769-0692 available by request