C072-0129 Screening compound: ethyl 4-{2-[(4-methylphenyl)sulfanyl]quinoline-4-amido}piperidine-1-carboxylate

C072-0129 Screening compound: ethyl 4-{2-[(4-methylphenyl)sulfanyl]quinoline-4-amido}piperidine-1-carboxylate
C072-0129 Screening compound: ethyl 4-{2-[(4-methylphenyl)sulfanyl]quinoline-4-amido}piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C072-0129
ethyl 4-{2-[(4-methylphenyl)sulfanyl]quinoline-4-amido}piperidine-1-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

C072-0129

Molecular Formula

C25H27N3O3S (C25 H27 N3 O3 S)

Compound Name

ethyl 4-{2-[(4-methylphenyl)sulfanyl]quinoline-4-amido}piperidine-1-carboxylate

IUPAC name

ethyl 4-{2-[(4-methylphenyl)sulfanyl]quinoline-4-amido}piperidine-1-carboxylate

SMILES

CCOC(N(CC1)CCC1NC(c1cc(Sc2ccc(C)cc2)nc2ccccc12)=O)=O

InChI

InChI=1S/C25H27N3O3S/c1-3-31-25(30)28-14-12-18(13-15-28)26-24(29)21-16-23(27-22-7-5-4-6-20(21)22)32-19-10-8-17(2)9-11-19/h4-11,16,18H,3,12-15H2,1-2H3,(H,26,29)

InChI Key

CXVAMRCDYJJUPL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14716604

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.689

Distribution Coefficient, logD

5.689

Water Solubility, LogSw

-5.63

Polar Surface Area

54.577

Acid Dissociation Constant (pKa)

16.49

Base Dissociation Constant (pKb)

7.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

References: we are preparing a list of scientific research reports with C072-0129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C072-0129?
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What is the minimum amount of C072-0129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C072-0129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C072-0129
  • 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 C072-0129 available by request