C138-1980 Screening compound: (2E)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

C138-1980 Screening compound: (2E)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
C138-1980 Screening compound: (2E)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C138-1980
(2E)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-(3,4,5-trimethoxyphenyl)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

C138-1980

Molecular Formula

C27H32N4O4 (C27 H32 N4 O4)

Compound Name

(2E)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

IUPAC name

(2E)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-(345-trimethoxyphenyl)prop-2-enamide

SMILES

Cc1c(cc(cc2)NC(/C=C/c(cc3OC)cc(OC)c3OC)=O)c2nc(N2CCN(C)CC2)c1

InChI

InChI=1S/C27H32N4O4/c1-18-14-25(31-12-10-30(2)11-13-31)29-22-8-7-20(17-21(18)22)28-26(32)9-6-19-15-23(33-3)27(35-5)24(16-19)34-4/h6-9,14-17H,10-13H2,1-5H3,(H,28,32)

InChI Key

GQXBMBZXFWQAOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14722174

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.529

Distribution Coefficient, logD

3.959

Water Solubility, LogSw

-4.36

Polar Surface Area

60.817

Acid Dissociation Constant (pKa)

11.32

Base Dissociation Constant (pKb)

7.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C138-1980 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 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
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C138-1980 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C138-1980?
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What is the minimum amount of C138-1980 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C138-1980
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C138-1980
  • 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 C138-1980 available by request