C737-1078 Screening compound: N~4~-[2-(1-cyclohexenyl)ethyl]-1-[(2-oxo-1,2,3,4-tetrahydro-6-quinolinyl)sulfonyl]-4-piperidinecarboxamide

C737-1078 Screening compound: N~4~-[2-(1-cyclohexenyl)ethyl]-1-[(2-oxo-1,2,3,4-tetrahydro-6-quinolinyl)sulfonyl]-4-piperidinecarboxamide
C737-1078 Screening compound: N~4~-[2-(1-cyclohexenyl)ethyl]-1-[(2-oxo-1,2,3,4-tetrahydro-6-quinolinyl)sulfonyl]-4-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C737-1078
N~4~-[2-(1-cyclohexenyl)ethyl]-1-[(2-oxo-1,2,3,4-tetrahydro-6-quinolinyl)sulfonyl]-4-piperidinecarboxamide

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

C737-1078

Molecular Formula

C23H31N3O4S (C23 H31 N3 O4 S)

Compound Name

N~4~-[2-(1-cyclohexenyl)ethyl]-1-[(2-oxo-1,2,3,4-tetrahydro-6-quinolinyl)sulfonyl]-4-piperidinecarboxamide

IUPAC name

n/a

SMILES

O=C(C(CC1)CCN1S(c(cc1)cc(CC2)c1NC2=O)(=O)=O)NCCC1=CCCCC1

InChI

InChI=1S/C23H31N3O4S/c27-22-9-6-19-16-20(7-8-21(19)25-22)31(29,30)26-14-11-18(12-15-26)23(28)24-13-10-17-4-2-1-3-5-17/h4,7-8,16,18H,1-3,5-6,9-15H2,(H,24,28)(H,25,27)

InChI Key

KIEHPCOILOVGHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14790264

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.229

Distribution Coefficient, logD

2.228

Water Solubility, LogSw

-2.92

Polar Surface Area

81.217

Acid Dissociation Constant (pKa)

9.90

Base Dissociation Constant (pKb)

0.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.50

C737-1078 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C737-1078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C737-1078?
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What is the minimum amount of C737-1078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C737-1078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C737-1078
  • 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 C737-1078 available by request