C129-0084 Screening compound: 3,4,5-triethoxy-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]benzamide

C129-0084 Screening compound: 3,4,5-triethoxy-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]benzamide
C129-0084 Screening compound: 3,4,5-triethoxy-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C129-0084
3,4,5-triethoxy-N-[4-methyl-2-(4-methylpiperidin-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

C129-0084

Molecular Formula

C29H37N3O4 (C29 H37 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

CCOc1cc(C(Nc2cc3c(C)cc(N4CCC(C)CC4)nc3cc2)=O)cc(OCC)c1OCC

InChI

InChI=1S/C29H37N3O4/c1-6-34-25-16-21(17-26(35-7-2)28(25)36-8-3)29(33)30-22-9-10-24-23(18-22)20(5)15-27(31-24)32-13-11-19(4)12-14-32/h9-10,15-19H,6-8,11-14H2,1-5H3,(H,30,33)

InChI Key

JJEKKOKHDIHHHL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14721278

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.63

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

6.559

Distribution Coefficient, logD

6.559

Water Solubility, LogSw

-5.67

Polar Surface Area

56.294

Acid Dissociation Constant (pKa)

11.38

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.80

C129-0084 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 C129-0084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C129-0084?
Check Price and Availability of C129-0084, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C129-0084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C129-0084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C129-0084
  • 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 C129-0084 available by request