C138-1957 Screening compound: 3-METHYL-N-[4-METHYL-2-(4-METHYLPIPERAZIN-1-YL)QUINOLIN-6-YL]-4-NITROBENZAMIDE

C138-1957 Screening compound: 3-METHYL-N-[4-METHYL-2-(4-METHYLPIPERAZIN-1-YL)QUINOLIN-6-YL]-4-NITROBENZAMIDE
C138-1957 Screening compound: 3-METHYL-N-[4-METHYL-2-(4-METHYLPIPERAZIN-1-YL)QUINOLIN-6-YL]-4-NITROBENZAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C138-1957
3-METHYL-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

C138-1957

Molecular Formula

C23H25N5O3 (C23 H25 N5 O3)

Compound Name

3-METHYL-N-[4-METHYL-2-(4-METHYLPIPERAZIN-1-YL)QUINOLIN-6-YL]-4-NITROBENZAMIDE

IUPAC name

n/a

SMILES

Cc1c(cc(cc2)NC(c(cc3)cc(C)c3[N+]([O-])=O)=O)c2nc(N2CCN(C)CC2)c1

InChI

InChI=1S/C23H25N5O3/c1-15-13-22(27-10-8-26(3)9-11-27)25-20-6-5-18(14-19(15)20)24-23(29)17-4-7-21(28(30)31)16(2)12-17/h4-7,12-14H,8-11H2,1-3H3,(H,24,29)

InChI Key

SQNUXYBRPYDUJU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14722167

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.48

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

4.726

Distribution Coefficient, logD

4.156

Water Solubility, LogSw

-4.64

Polar Surface Area

71.133

Acid Dissociation Constant (pKa)

9.15

Base Dissociation Constant (pKb)

7.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

C138-1957 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

Lipid Metabolism Library (9174 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with C138-1957 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C138-1957?
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What is the minimum amount of C138-1957 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C138-1957
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C138-1957
  • 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 C138-1957 available by request