C387-0868 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[(2-methylphenyl)amino]quinoline-4-carboxamide

C387-0868 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[(2-methylphenyl)amino]quinoline-4-carboxamide
C387-0868 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[(2-methylphenyl)amino]quinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C387-0868
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[(2-methylphenyl)amino]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

C387-0868

Molecular Formula

C25H27N3O (C25 H27 N3 O)

Compound Name

N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[(2-methylphenyl)amino]quinoline-4-carboxamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[(2-methylphenyl)amino]quinoline-4-carboxamide

SMILES

Cc(cccc1)c1Nc1nc2ccccc2c(C(NCCC2=CCCCC2)=O)c1

InChI

InChI=1S/C25H27N3O/c1-18-9-5-7-13-22(18)27-24-17-21(20-12-6-8-14-23(20)28-24)25(29)26-16-15-19-10-3-2-4-11-19/h5-10,12-14,17H,2-4,11,15-16H2,1H3,(H,26,29)(H,27,28)

InChI Key

GBROHMCEPHHYFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14755501

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.51

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.736

Distribution Coefficient, logD

5.735

Water Solubility, LogSw

-5.56

Polar Surface Area

41.798

Acid Dissociation Constant (pKa)

15.61

Base Dissociation Constant (pKb)

4.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

References: we are preparing a list of scientific research reports with C387-0868 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C387-0868?
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What is the minimum amount of C387-0868 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C387-0868
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C387-0868
  • 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 C387-0868 available by request