4358-4180 Screening compound: ethyl 7,8-dichloro-4-[(2-methylcyclohexyl)amino]quinoline-3-carboxylate

4358-4180 Screening compound: ethyl 7,8-dichloro-4-[(2-methylcyclohexyl)amino]quinoline-3-carboxylate
4358-4180 Screening compound: ethyl 7,8-dichloro-4-[(2-methylcyclohexyl)amino]quinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4358-4180
ethyl 7,8-dichloro-4-[(2-methylcyclohexyl)amino]quinoline-3-carboxylate

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

4358-4180

Molecular Formula

C19H22Cl2N2O2 (C19 H22 Cl2 N2 O2)

Compound Name

ethyl 7,8-dichloro-4-[(2-methylcyclohexyl)amino]quinoline-3-carboxylate

IUPAC name

ethyl 78-dichloro-4-[(2-methylcyclohexyl)amino]quinoline-3-carboxylate

SMILES

CCOC(c(c(NC1C(C)CCCC1)c1cc2)cnc1c(Cl)c2Cl)=O

InChI

InChI=1S/C19H22Cl2N2O2/c1-3-25-19(24)13-10-22-18-12(8-9-14(20)16(18)21)17(13)23-15-7-5-4-6-11(15)2/h8-11,15H,3-7H2,1-2H3,(H,22,23)

InChI Key

FHTKGVZBGKHFDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03284853

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

381.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.839

Distribution Coefficient, logD

5.839

Water Solubility, LogSw

-6.19

Polar Surface Area

39.569

Acid Dissociation Constant (pKa)

14.31

Base Dissociation Constant (pKb)

2.89

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.40

4358-4180 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4358-4180 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4358-4180?
Check Price and Availability of 4358-4180, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4358-4180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4358-4180
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4358-4180
  • 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 4358-4180 available by request