8015-5138 Screening compound: ethyl 2,7,7-trimethyl-4-(6-methyl-2-pyridyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

8015-5138 Screening compound: ethyl 2,7,7-trimethyl-4-(6-methyl-2-pyridyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
8015-5138 Screening compound: ethyl 2,7,7-trimethyl-4-(6-methyl-2-pyridyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-5138
ethyl 2,7,7-trimethyl-4-(6-methyl-2-pyridyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

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

8015-5138

Molecular Formula

C21H26N2O3 (C21 H26 N2 O3)

Compound Name

ethyl 2,7,7-trimethyl-4-(6-methyl-2-pyridyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

IUPAC name

ethyl 277-trimethyl-4-(6-methylpyridin-2-yl)-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CCOC(C(C1c2nc(C)ccc2)=C(C)NC(CC(C)(C)C2)=C1C2=O)=O

InChI

InChI=1S/C21H26N2O3/c1-6-26-20(25)17-13(3)23-15-10-21(4,5)11-16(24)18(15)19(17)14-9-7-8-12(2)22-14/h7-9,19,23H,6,10-11H2,1-5H3/t19-/m0/s1

InChI Key

NWZWLKWHCPYGHL-IBGZPJMESA-N

MDL Number (MFCD)

MFCD03090650

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.356

Distribution Coefficient, logD

-1.083

Water Solubility, LogSw

-3.32

Polar Surface Area

53.097

Acid Dissociation Constant (pKa)

2.96

Base Dissociation Constant (pKb)

3.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.62

8015-5138 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8015-5138 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-5138?
Check Price and Availability of 8015-5138, 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 8015-5138 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-5138
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-5138
  • 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 8015-5138 available by request