C066-4120 Screening compound: N-{2-[(3-chlorophenyl)amino]-4-methylquinolin-6-yl}-2-propylpentanamide

C066-4120 Screening compound: N-{2-[(3-chlorophenyl)amino]-4-methylquinolin-6-yl}-2-propylpentanamide
C066-4120 Screening compound: N-{2-[(3-chlorophenyl)amino]-4-methylquinolin-6-yl}-2-propylpentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-4120
N-{2-[(3-chlorophenyl)amino]-4-methylquinolin-6-yl}-2-propylpentanamide

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

C066-4120

Molecular Formula

C24H28ClN3O (C24 H28 ClN3 O)

Compound Name

N-{2-[(3-chlorophenyl)amino]-4-methylquinolin-6-yl}-2-propylpentanamide

IUPAC name

N-{2-[(3-chlorophenyl)amino]-4-methylquinolin-6-yl}-2-propylpentanamide

SMILES

CCCC(CCC)C(Nc(cc1c(C)c2)ccc1nc2Nc1cccc(Cl)c1)=O

InChI

InChI=1S/C24H28ClN3O/c1-4-7-17(8-5-2)24(29)27-20-11-12-22-21(15-20)16(3)13-23(28-22)26-19-10-6-9-18(25)14-19/h6,9-15,17H,4-5,7-8H2,1-3H3,(H,26,28)(H,27,29)

InChI Key

NDUJLBYCOMDBIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30458065

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.96

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.812

Distribution Coefficient, logD

7.812

Water Solubility, LogSw

-6.30

Polar Surface Area

41.411

Acid Dissociation Constant (pKa)

10.72

Base Dissociation Constant (pKb)

4.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

C066-4120 in Drug Discovery

Included in Screening Libraries

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

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with C066-4120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-4120?
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What is the minimum amount of C066-4120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-4120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-4120
  • 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 C066-4120 available by request