C095-0231 Screening compound: (2E)-N-[4-methyl-2-(morpholin-4-yl)quinolin-6-yl]-3-[4-(propan-2-yloxy)phenyl]prop-2-enamide

C095-0231 Screening compound: (2E)-N-[4-methyl-2-(morpholin-4-yl)quinolin-6-yl]-3-[4-(propan-2-yloxy)phenyl]prop-2-enamide
C095-0231 Screening compound: (2E)-N-[4-methyl-2-(morpholin-4-yl)quinolin-6-yl]-3-[4-(propan-2-yloxy)phenyl]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C095-0231
(2E)-N-[4-methyl-2-(morpholin-4-yl)quinolin-6-yl]-3-[4-(propan-2-yloxy)phenyl]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

C095-0231

Molecular Formula

C26H29N3O3 (C26 H29 N3 O3)

Compound Name

(2E)-N-[4-methyl-2-(morpholin-4-yl)quinolin-6-yl]-3-[4-(propan-2-yloxy)phenyl]prop-2-enamide

IUPAC name

(2E)-N-[4-methyl-2-(morpholin-4-yl)quinolin-6-yl]-3-[4-(propan-2-yloxy)phenyl]prop-2-enamide

SMILES

CC(C)Oc1ccc(/C=C/C(Nc2cc3c(C)cc(N4CCOCC4)nc3cc2)=O)cc1

InChI

InChI=1S/C26H29N3O3/c1-18(2)32-22-8-4-20(5-9-22)6-11-26(30)27-21-7-10-24-23(17-21)19(3)16-25(28-24)29-12-14-31-15-13-29/h4-11,16-18H,12-15H2,1-3H3,(H,27,30)

InChI Key

VEBOURHXXLFZCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14719087

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.53

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

5.674

Distribution Coefficient, logD

5.672

Water Solubility, LogSw

-5.53

Polar Surface Area

49.074

Acid Dissociation Constant (pKa)

11.32

Base Dissociation Constant (pKb)

5.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

C095-0231 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C095-0231 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C095-0231?
Check Price and Availability of C095-0231, 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 C095-0231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C095-0231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C095-0231
  • 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 C095-0231 available by request