C095-0104 Screening compound: (2E)-N-[4-methyl-2-(piperidin-1-yl)quinolin-6-yl]-3-(thiophen-2-yl)prop-2-enamide

C095-0104 Screening compound: (2E)-N-[4-methyl-2-(piperidin-1-yl)quinolin-6-yl]-3-(thiophen-2-yl)prop-2-enamide
C095-0104 Screening compound: (2E)-N-[4-methyl-2-(piperidin-1-yl)quinolin-6-yl]-3-(thiophen-2-yl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C095-0104
(2E)-N-[4-methyl-2-(piperidin-1-yl)quinolin-6-yl]-3-(thiophen-2-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

C095-0104

Molecular Formula

C22H23N3OS (C22 H23 N3 OS)

Compound Name

(2E)-N-[4-methyl-2-(piperidin-1-yl)quinolin-6-yl]-3-(thiophen-2-yl)prop-2-enamide

IUPAC name

(2E)-N-[4-methyl-2-(piperidin-1-yl)quinolin-6-yl]-3-(thiophen-2-yl)prop-2-enamide

SMILES

Cc1c(cc(cc2)NC(/C=C/c3cccs3)=O)c2nc(N2CCCCC2)c1

InChI

InChI=1S/C22H23N3OS/c1-16-14-21(25-11-3-2-4-12-25)24-20-9-7-17(15-19(16)20)23-22(26)10-8-18-6-5-13-27-18/h5-10,13-15H,2-4,11-12H2,1H3,(H,23,26)

InChI Key

UWWRCYMSUGFMTF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14719051

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.51

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.630

Distribution Coefficient, logD

5.629

Water Solubility, LogSw

-5.39

Polar Surface Area

35.381

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

4.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

C095-0104 in Drug Discovery

Included in Screening Libraries

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

Akt-Targeted Library (14764 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with C095-0104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C095-0104?
Check Price and Availability of C095-0104, 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 C095-0104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C095-0104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C095-0104
  • 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 C095-0104 available by request