C095-0084 Screening compound: 3,4,5-triethoxy-N-[4-methyl-2-(piperidin-1-yl)quinolin-6-yl]benzamide

C095-0084 Screening compound: 3,4,5-triethoxy-N-[4-methyl-2-(piperidin-1-yl)quinolin-6-yl]benzamide
C095-0084 Screening compound: 3,4,5-triethoxy-N-[4-methyl-2-(piperidin-1-yl)quinolin-6-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C095-0084
3,4,5-triethoxy-N-[4-methyl-2-(piperidin-1-yl)quinolin-6-yl]benzamide

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

C095-0084

Molecular Formula

C28H35N3O4 (C28 H35 N3 O4)

Compound Name

3,4,5-triethoxy-N-[4-methyl-2-(piperidin-1-yl)quinolin-6-yl]benzamide

IUPAC name

345-triethoxy-N-[4-methyl-2-(piperidin-1-yl)quinolin-6-yl]benzamide

SMILES

CCOc1cc(C(Nc2cc3c(C)cc(N4CCCCC4)nc3cc2)=O)cc(OCC)c1OCC

InChI

InChI=1S/C28H35N3O4/c1-5-33-24-16-20(17-25(34-6-2)27(24)35-7-3)28(32)29-21-11-12-23-22(18-21)19(4)15-26(30-23)31-13-9-8-10-14-31/h11-12,15-18H,5-10,13-14H2,1-4H3,(H,29,32)

InChI Key

FMKFFNXKPUHWCU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14719041

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.229

Distribution Coefficient, logD

6.228

Water Solubility, LogSw

-5.41

Polar Surface Area

56.294

Acid Dissociation Constant (pKa)

11.38

Base Dissociation Constant (pKb)

4.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

C095-0084 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C095-0084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C095-0084?
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What is the minimum amount of C095-0084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C095-0084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C095-0084
  • 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 C095-0084 available by request