C095-0075 Screening compound: (2E)-3-(2H-1,3-benzodioxol-5-yl)-N-[4-methyl-2-(piperidin-1-yl)quinolin-6-yl]prop-2-enamide

C095-0075 Screening compound: (2E)-3-(2H-1,3-benzodioxol-5-yl)-N-[4-methyl-2-(piperidin-1-yl)quinolin-6-yl]prop-2-enamide
C095-0075 Screening compound: (2E)-3-(2H-1,3-benzodioxol-5-yl)-N-[4-methyl-2-(piperidin-1-yl)quinolin-6-yl]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C095-0075
(2E)-3-(2H-1,3-benzodioxol-5-yl)-N-[4-methyl-2-(piperidin-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

C095-0075

Molecular Formula

C25H25N3O3 (C25 H25 N3 O3)

Compound Name

(2E)-3-(2H-1,3-benzodioxol-5-yl)-N-[4-methyl-2-(piperidin-1-yl)quinolin-6-yl]prop-2-enamide

IUPAC name

(2E)-3-(2H-13-benzodioxol-5-yl)-N-[4-methyl-2-(piperidin-1-yl)quinolin-6-yl]prop-2-enamide

SMILES

Cc1c(cc(cc2)NC(/C=C/c(cc3)cc4c3OCO4)=O)c2nc(N2CCCCC2)c1

InChI

InChI=1S/C25H25N3O3/c1-17-13-24(28-11-3-2-4-12-28)27-21-8-7-19(15-20(17)21)26-25(29)10-6-18-5-9-22-23(14-18)31-16-30-22/h5-10,13-15H,2-4,11-12,16H2,1H3,(H,26,29)

InChI Key

VIYRHUIZDLNAJB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14719035

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.171

Distribution Coefficient, logD

6.168

Water Solubility, LogSw

-5.49

Polar Surface Area

51.478

Acid Dissociation Constant (pKa)

11.32

Base Dissociation Constant (pKb)

5.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

C095-0075 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Covalent Inhibitors Library (7986 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
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with C095-0075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C095-0075?
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What is the minimum amount of C095-0075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C095-0075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C095-0075
  • 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 C095-0075 available by request