C072-0294 Screening compound: 2-[(4-fluorophenyl)sulfanyl]-N-(2-methylcyclohexyl)quinoline-4-carboxamide

C072-0294 Screening compound: 2-[(4-fluorophenyl)sulfanyl]-N-(2-methylcyclohexyl)quinoline-4-carboxamide
C072-0294 Screening compound: 2-[(4-fluorophenyl)sulfanyl]-N-(2-methylcyclohexyl)quinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C072-0294
2-[(4-fluorophenyl)sulfanyl]-N-(2-methylcyclohexyl)quinoline-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

C072-0294

Molecular Formula

C23H23FN2OS (C23 H23 FN2 OS)

Compound Name

2-[(4-fluorophenyl)sulfanyl]-N-(2-methylcyclohexyl)quinoline-4-carboxamide

IUPAC name

2-[(4-fluorophenyl)sulfanyl]-N-(2-methylcyclohexyl)quinoline-4-carboxamide

SMILES

CC(CCCC1)C1NC(c1cc(Sc(cc2)ccc2F)nc2ccccc12)=O

InChI

InChI=1S/C23H23FN2OS/c1-15-6-2-4-8-20(15)26-23(27)19-14-22(25-21-9-5-3-7-18(19)21)28-17-12-10-16(24)11-13-17/h3,5,7,9-15,20H,2,4,6,8H2,1H3,(H,26,27)

InChI Key

HPJOMZBPCJHUMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14716697

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.559

Distribution Coefficient, logD

6.559

Water Solubility, LogSw

-5.84

Polar Surface Area

32.187

Acid Dissociation Constant (pKa)

16.23

Base Dissociation Constant (pKb)

7.01

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.40

C072-0294 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C072-0294 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C072-0294?
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What is the minimum amount of C072-0294 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C072-0294
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C072-0294
  • 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 C072-0294 available by request