C769-0768 Screening compound: 1-{3-[(4-chlorophenyl)sulfonyl]-6-fluoro-4-quinolyl}-4-piperidinecarboxamide

C769-0768 Screening compound: 1-{3-[(4-chlorophenyl)sulfonyl]-6-fluoro-4-quinolyl}-4-piperidinecarboxamide
C769-0768 Screening compound: 1-{3-[(4-chlorophenyl)sulfonyl]-6-fluoro-4-quinolyl}-4-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C769-0768
1-{3-[(4-chlorophenyl)sulfonyl]-6-fluoro-4-quinolyl}-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

C769-0768

Molecular Formula

C21H19ClFN3O3S (C21 H19 ClFN3 O3 S)

Compound Name

1-{3-[(4-chlorophenyl)sulfonyl]-6-fluoro-4-quinolyl}-4-piperidinecarboxamide

IUPAC name

1-[3-(4-chlorobenzenesulfonyl)-6-fluoroquinolin-4-yl]piperidine-4-carboxamide

SMILES

NC(C(CC1)CCN1c(c1cc(F)ccc1nc1)c1S(c(cc1)ccc1Cl)(=O)=O)=O

InChI

InChI=1S/C21H19ClFN3O3S/c22-14-1-4-16(5-2-14)30(28,29)19-12-25-18-6-3-15(23)11-17(18)20(19)26-9-7-13(8-10-26)21(24)27/h1-6,11-13H,7-10H2,(H2,24,27)

InChI Key

DWUHVDFEEOIBKJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06404143

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.92

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.435

Distribution Coefficient, logD

3.435

Water Solubility, LogSw

-3.77

Polar Surface Area

75.501

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

1.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.81

C769-0768 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 C769-0768 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C769-0768?
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What is the minimum amount of C769-0768 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C769-0768
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C769-0768
  • 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 C769-0768 available by request