C769-0168 Screening compound: ethyl 1-[6-methoxy-3-(4-methylbenzenesulfonyl)quinolin-4-yl]piperidine-3-carboxylate

C769-0168 Screening compound: ethyl 1-[6-methoxy-3-(4-methylbenzenesulfonyl)quinolin-4-yl]piperidine-3-carboxylate
C769-0168 Screening compound: ethyl 1-[6-methoxy-3-(4-methylbenzenesulfonyl)quinolin-4-yl]piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C769-0168
ethyl 1-[6-methoxy-3-(4-methylbenzenesulfonyl)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

C769-0168

Molecular Formula

C25H28N2O5S (C25 H28 N2 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(CCC1)CN1c(c1cc(OC)ccc1nc1)c1S(c1ccc(C)cc1)(=O)=O)=O

InChI

InChI=1S/C25H28N2O5S/c1-4-32-25(28)18-6-5-13-27(16-18)24-21-14-19(31-3)9-12-22(21)26-15-23(24)33(29,30)20-10-7-17(2)8-11-20/h7-12,14-15,18H,4-6,13,16H2,1-3H3/t18-/m0/s1

InChI Key

CRHMGHULBWIRKJ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD06404425

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.723

Distribution Coefficient, logD

4.723

Water Solubility, LogSw

-4.49

Polar Surface Area

69.673

Acid Dissociation Constant (pKa)

22.05

Base Dissociation Constant (pKb)

3.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

C769-0168 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 C769-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C769-0168?
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What is the minimum amount of C769-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C769-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C769-0168
  • 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 C769-0168 available by request