C769-0691 Screening compound: ethyl 1-[3-(4-chlorobenzenesulfonyl)quinolin-4-yl]piperidine-4-carboxylate

C769-0691 Screening compound: ethyl 1-[3-(4-chlorobenzenesulfonyl)quinolin-4-yl]piperidine-4-carboxylate
C769-0691 Screening compound: ethyl 1-[3-(4-chlorobenzenesulfonyl)quinolin-4-yl]piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C769-0691
ethyl 1-[3-(4-chlorobenzenesulfonyl)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

C769-0691

Molecular Formula

C23H23ClN2O4S (C23 H23 ClN2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(CC1)CCN1c(c1ccccc1nc1)c1S(c(cc1)ccc1Cl)(=O)=O)=O

InChI

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

InChI Key

KCOSZTLFOKWDOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06404428

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

4.710

Distribution Coefficient, logD

4.710

Water Solubility, LogSw

-4.84

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

30.40

References: we are preparing a list of scientific research reports with C769-0691 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C769-0691?
Check Price and Availability of C769-0691, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C769-0691 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C769-0691
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C769-0691
  • 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 C769-0691 available by request