C138-1970 Screening compound: 2-chloro-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-4-nitrobenzamide

C138-1970 Screening compound: 2-chloro-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-4-nitrobenzamide
C138-1970 Screening compound: 2-chloro-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C138-1970
2-chloro-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-4-nitrobenzamide

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

C138-1970

Molecular Formula

C22H22ClN5O3 (C22 H22 ClN5 O3)

Compound Name

2-chloro-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-4-nitrobenzamide

IUPAC name

2-chloro-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-4-nitrobenzamide

SMILES

Cc1c(cc(cc2)NC(c(ccc([N+]([O-])=O)c3)c3Cl)=O)c2nc(N2CCN(C)CC2)c1

InChI

InChI=1S/C22H22ClN5O3/c1-14-11-21(27-9-7-26(2)8-10-27)25-20-6-3-15(12-18(14)20)24-22(29)17-5-4-16(28(30)31)13-19(17)23/h3-6,11-13H,7-10H2,1-2H3,(H,24,29)

InChI Key

APKSTEDVUYDLKL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14722172

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.9

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.783

Distribution Coefficient, logD

4.213

Water Solubility, LogSw

-4.96

Polar Surface Area

71.434

Acid Dissociation Constant (pKa)

8.75

Base Dissociation Constant (pKb)

7.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

C138-1970 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C138-1970 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C138-1970?
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What is the minimum amount of C138-1970 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C138-1970
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C138-1970
  • 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 C138-1970 available by request