C095-0102 Screening compound: (2E)-N-[4-methyl-2-(piperidin-1-yl)quinolin-6-yl]-3-(5-methylfuran-2-yl)prop-2-enamide

C095-0102 Screening compound: (2E)-N-[4-methyl-2-(piperidin-1-yl)quinolin-6-yl]-3-(5-methylfuran-2-yl)prop-2-enamide
C095-0102 Screening compound: (2E)-N-[4-methyl-2-(piperidin-1-yl)quinolin-6-yl]-3-(5-methylfuran-2-yl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C095-0102
(2E)-N-[4-methyl-2-(piperidin-1-yl)quinolin-6-yl]-3-(5-methylfuran-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

C095-0102

Molecular Formula

C23H25N3O2 (C23 H25 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(/C=C/C(Nc2cc3c(C)cc(N4CCCCC4)nc3cc2)=O)o1

InChI

InChI=1S/C23H25N3O2/c1-16-14-22(26-12-4-3-5-13-26)25-21-10-7-18(15-20(16)21)24-23(27)11-9-19-8-6-17(2)28-19/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,24,27)

InChI Key

NOSXBRUMTYDHPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14719049

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.844

Distribution Coefficient, logD

5.843

Water Solubility, LogSw

-5.46

Polar Surface Area

41.626

Acid Dissociation Constant (pKa)

11.30

Base Dissociation Constant (pKb)

4.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

C095-0102 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with C095-0102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C095-0102?
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What is the minimum amount of C095-0102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C095-0102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C095-0102
  • 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 C095-0102 available by request