C095-0379 Screening compound: N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-(thiophen-2-yl)quinoline-4-carboxamide

C095-0379 Screening compound: N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-(thiophen-2-yl)quinoline-4-carboxamide
C095-0379 Screening compound: N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-(thiophen-2-yl)quinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C095-0379
N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-(thiophen-2-yl)quinoline-4-carboxamide

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

C095-0379

Molecular Formula

C30H29N5OS (C30 H29 N5 OS)

Compound Name

N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-(thiophen-2-yl)quinoline-4-carboxamide

IUPAC name

N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-(thiophen-2-yl)quinoline-4-carboxamide

SMILES

CCN(CC1)CCN1c1cc(C)c(cc(cc2)NC(c3cc(-c4cccs4)nc4ccccc34)=O)c2n1

InChI

InChI=1S/C30H29N5OS/c1-3-34-12-14-35(15-13-34)29-17-20(2)23-18-21(10-11-26(23)33-29)31-30(36)24-19-27(28-9-6-16-37-28)32-25-8-5-4-7-22(24)25/h4-11,16-19H,3,12-15H2,1-2H3,(H,31,36)

InChI Key

MPLFGSSKQRHUCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14719149

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.66

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.831

Distribution Coefficient, logD

6.143

Water Solubility, LogSw

-5.75

Polar Surface Area

47.191

Acid Dissociation Constant (pKa)

11.53

Base Dissociation Constant (pKb)

7.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.30

C095-0379 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C095-0379 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C095-0379?
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What is the minimum amount of C095-0379 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C095-0379
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C095-0379
  • 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 C095-0379 available by request