C126-0072 Screening compound: N-[2-(diethylamino)-4-methylquinolin-6-yl]cyclohexanecarboxamide

C126-0072 Screening compound: N-[2-(diethylamino)-4-methylquinolin-6-yl]cyclohexanecarboxamide
C126-0072 Screening compound: N-[2-(diethylamino)-4-methylquinolin-6-yl]cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C126-0072
N-[2-(diethylamino)-4-methylquinolin-6-yl]cyclohexanecarboxamide

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

C126-0072

Molecular Formula

C21H29N3O (C21 H29 N3 O)

Compound Name

N-[2-(diethylamino)-4-methylquinolin-6-yl]cyclohexanecarboxamide

IUPAC name

N-[2-(diethylamino)-4-methylquinolin-6-yl]cyclohexanecarboxamide

SMILES

CCN(CC)c1cc(C)c(cc(cc2)NC(C3CCCCC3)=O)c2n1

InChI

InChI=1S/C21H29N3O/c1-4-24(5-2)20-13-15(3)18-14-17(11-12-19(18)23-20)22-21(25)16-9-7-6-8-10-16/h11-14,16H,4-10H2,1-3H3,(H,22,25)

InChI Key

IEUMJTYKJHEXLH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14721075

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.48

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.321

Distribution Coefficient, logD

5.318

Water Solubility, LogSw

-5.33

Polar Surface Area

34.052

Acid Dissociation Constant (pKa)

10.72

Base Dissociation Constant (pKb)

5.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

C126-0072 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with C126-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C126-0072?
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What is the minimum amount of C126-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C126-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C126-0072
  • 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 C126-0072 available by request