C769-0180 Screening compound: ethyl 1-[6-ethoxy-3-(4-methylbenzenesulfonyl)quinolin-4-yl]piperidine-4-carboxylate

C769-0180 Screening compound: ethyl 1-[6-ethoxy-3-(4-methylbenzenesulfonyl)quinolin-4-yl]piperidine-4-carboxylate
C769-0180 Screening compound: ethyl 1-[6-ethoxy-3-(4-methylbenzenesulfonyl)quinolin-4-yl]piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C769-0180
ethyl 1-[6-ethoxy-3-(4-methylbenzenesulfonyl)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

C769-0180

Molecular Formula

C26H30N2O5S (C26 H30 N2 O5 S)

Compound Name

ethyl 1-[6-ethoxy-3-(4-methylbenzenesulfonyl)quinolin-4-yl]piperidine-4-carboxylate

IUPAC name

ethyl 1-[6-ethoxy-3-(4-methylbenzenesulfonyl)quinolin-4-yl]piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1c(c1cc(OCC)ccc1nc1)c1S(c1ccc(C)cc1)(=O)=O)=O

InChI

InChI=1S/C26H30N2O5S/c1-4-32-20-8-11-23-22(16-20)25(28-14-12-19(13-15-28)26(29)33-5-2)24(17-27-23)34(30,31)21-9-6-18(3)7-10-21/h6-11,16-17,19H,4-5,12-15H2,1-3H3

InChI Key

FECOWOAPVSJRSP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06403756

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.144

Distribution Coefficient, logD

5.144

Water Solubility, LogSw

-4.92

Polar Surface Area

69.320

Acid Dissociation Constant (pKa)

22.45

Base Dissociation Constant (pKb)

3.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

C769-0180 in Drug Discovery

Included in Screening Libraries

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C769-0180 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C769-0180?
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What is the minimum amount of C769-0180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C769-0180
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C769-0180
  • 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 C769-0180 available by request