C208-0411 Screening compound: N-cyclooctyl-2-oxo-6-(piperidine-1-sulfonyl)-1,2-dihydroquinoline-4-carboxamide

C208-0411 Screening compound: N-cyclooctyl-2-oxo-6-(piperidine-1-sulfonyl)-1,2-dihydroquinoline-4-carboxamide
C208-0411 Screening compound: N-cyclooctyl-2-oxo-6-(piperidine-1-sulfonyl)-1,2-dihydroquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C208-0411
N-cyclooctyl-2-oxo-6-(piperidine-1-sulfonyl)-1,2-dihydroquinoline-4-carboxamide

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

C208-0411

Molecular Formula

C23H31N3O4S (C23 H31 N3 O4 S)

Compound Name

N-cyclooctyl-2-oxo-6-(piperidine-1-sulfonyl)-1,2-dihydroquinoline-4-carboxamide

IUPAC name

N-cyclooctyl-2-oxo-6-(piperidine-1-sulfonyl)-12-dihydroquinoline-4-carboxamide

SMILES

O=C(C(c(cc(cc1)S(N2CCCCC2)(=O)=O)c1N1)=CC1=O)NC1CCCCCCC1

InChI

InChI=1S/C23H31N3O4S/c27-22-16-20(23(28)24-17-9-5-2-1-3-6-10-17)19-15-18(11-12-21(19)25-22)31(29,30)26-13-7-4-8-14-26/h11-12,15-17H,1-10,13-14H2,(H,24,28)(H,25,27)

InChI Key

VTHDMBXGVMTZBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05029442

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

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.113

Distribution Coefficient, logD

4.071

Water Solubility, LogSw

-4.20

Polar Surface Area

81.240

Acid Dissociation Constant (pKa)

8.39

Base Dissociation Constant (pKb)

2.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.50

C208-0411 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C208-0411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C208-0411?
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What is the minimum amount of C208-0411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C208-0411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C208-0411
  • 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 C208-0411 available by request