C129-0066 Screening compound: (2E)-3-(3,4-dimethoxyphenyl)-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]prop-2-enamide

C129-0066 Screening compound: (2E)-3-(3,4-dimethoxyphenyl)-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]prop-2-enamide
C129-0066 Screening compound: (2E)-3-(3,4-dimethoxyphenyl)-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C129-0066
(2E)-3-(3,4-dimethoxyphenyl)-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]prop-2-enamide

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

C129-0066

Molecular Formula

C27H31N3O3 (C27 H31 N3 O3)

Compound Name

(2E)-3-(3,4-dimethoxyphenyl)-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]prop-2-enamide

IUPAC name

(2E)-3-(34-dimethoxyphenyl)-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]prop-2-enamide

SMILES

CC(CC1)CCN1c1cc(C)c(cc(cc2)NC(/C=C/c(cc3)cc(OC)c3OC)=O)c2n1

InChI

InChI=1S/C27H31N3O3/c1-18-11-13-30(14-12-18)26-15-19(2)22-17-21(7-8-23(22)29-26)28-27(31)10-6-20-5-9-24(32-3)25(16-20)33-4/h5-10,15-18H,11-14H2,1-4H3,(H,28,31)

InChI Key

FNTDVQZPMAEDJV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14721271

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.203

Distribution Coefficient, logD

6.201

Water Solubility, LogSw

-5.59

Polar Surface Area

49.624

Acid Dissociation Constant (pKa)

11.32

Base Dissociation Constant (pKb)

5.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C129-0066 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with C129-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C129-0066?
Check Price and Availability of C129-0066, 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 C129-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C129-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C129-0066
  • 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 C129-0066 available by request