C066-2387 Screening compound: N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-N'-({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)butanediamide

C066-2387 Screening compound: N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-N'-({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)butanediamide
C066-2387 Screening compound: N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-N'-({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)butanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-2387
N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-N'-({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)butanediamide

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

C066-2387

Molecular Formula

C33H44N6O2 (C33 H44 N6 O2)

Compound Name

N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-N'-({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)butanediamide

IUPAC name

N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-N'-({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)butanediamide

SMILES

Cc1cccc(CN2CCC(CNC(CCC(Nc3cc4c(C)cc(N5CCN(C)CC5)nc4cc3)=O)=O)CC2)c1

InChI

InChI=1S/C33H44N6O2/c1-24-5-4-6-27(19-24)23-38-13-11-26(12-14-38)22-34-32(40)9-10-33(41)35-28-7-8-30-29(21-28)25(2)20-31(36-30)39-17-15-37(3)16-18-39/h4-8,19-21,26H,9-18,22-23H2,1-3H3,(H,34,40)(H,35,41)

InChI Key

QCJOOLRZXHEHKH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14715334

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

556.75

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.479

Distribution Coefficient, logD

1.987

Water Solubility, LogSw

-4.32

Polar Surface Area

66.044

Acid Dissociation Constant (pKa)

11.10

Base Dissociation Constant (pKb)

9.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.50

C066-2387 in Drug Discovery

Included in Screening Libraries

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

Lipid Metabolism Library (9174 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with C066-2387 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-2387?
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What is the minimum amount of C066-2387 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-2387
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-2387
  • 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 C066-2387 available by request