1716-1808 Screening compound: cyclohexyl 4-(4-ethylphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

1716-1808 Screening compound: cyclohexyl 4-(4-ethylphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
1716-1808 Screening compound: cyclohexyl 4-(4-ethylphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1716-1808
cyclohexyl 4-(4-ethylphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-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

1716-1808

Molecular Formula

C25H31NO3 (C25 H31 NO3)

Compound Name

cyclohexyl 4-(4-ethylphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

cyclohexyl 4-(4-ethylphenyl)-2-methyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CCc1ccc(C2C(C(CCC3)=O)=C3NC(C)=C2C(OC2CCCCC2)=O)cc1

InChI

InChI=1S/C25H31NO3/c1-3-17-12-14-18(15-13-17)23-22(25(28)29-19-8-5-4-6-9-19)16(2)26-20-10-7-11-21(27)24(20)23/h12-15,19,23,26H,3-11H2,1-2H3/t23-/m0/s1

InChI Key

WADXECQUQHAXAC-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD00753027

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.707

Distribution Coefficient, logD

1.811

Water Solubility, LogSw

-5.43

Polar Surface Area

44.005

Acid Dissociation Constant (pKa)

3.50

Base Dissociation Constant (pKb)

-2.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.00

1716-1808 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

KRAS-Targeted Library (16000 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 1716-1808 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1716-1808?
Check Price and Availability of 1716-1808, 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 1716-1808 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1716-1808
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1716-1808
  • 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 1716-1808 available by request