C138-2040 Screening compound: (2E)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-[2-(propan-2-yloxy)phenyl]prop-2-enamide

C138-2040 Screening compound: (2E)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-[2-(propan-2-yloxy)phenyl]prop-2-enamide
C138-2040 Screening compound: (2E)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-[2-(propan-2-yloxy)phenyl]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C138-2040
(2E)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-[2-(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

C138-2040

Molecular Formula

C27H32N4O2 (C27 H32 N4 O2)

Compound Name

(2E)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-[2-(propan-2-yloxy)phenyl]prop-2-enamide

IUPAC name

(2E)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-[2-(propan-2-yloxy)phenyl]prop-2-enamide

SMILES

CC(C)Oc1c(/C=C/C(Nc2cc3c(C)cc(N4CCN(C)CC4)nc3cc2)=O)cccc1

InChI

InChI=1S/C27H32N4O2/c1-19(2)33-25-8-6-5-7-21(25)9-12-27(32)28-22-10-11-24-23(18-22)20(3)17-26(29-24)31-15-13-30(4)14-16-31/h5-12,17-19H,13-16H2,1-4H3,(H,28,32)

InChI Key

BWCDKTDJCZCDDK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14722200

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.58

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

5.666

Distribution Coefficient, logD

5.096

Water Solubility, LogSw

-5.48

Polar Surface Area

44.729

Acid Dissociation Constant (pKa)

11.62

Base Dissociation Constant (pKb)

7.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C138-2040 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Nucleic Acid Ligands (8311 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Epigenetics Focused Set (26518 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
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
  • 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 C138-2040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C138-2040?
Check Price and Availability of C138-2040, 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 C138-2040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C138-2040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C138-2040
  • 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 C138-2040 available by request