C119-0120 Screening compound: 3-ethyl 6-methyl 4-[3-(benzyloxy)phenyl]-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate

C119-0120 Screening compound: 3-ethyl 6-methyl 4-[3-(benzyloxy)phenyl]-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
C119-0120 Screening compound: 3-ethyl 6-methyl 4-[3-(benzyloxy)phenyl]-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C119-0120
3-ethyl 6-methyl 4-[3-(benzyloxy)phenyl]-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate

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

C119-0120

Molecular Formula

C29H31NO6 (C29 H31 NO6)

Compound Name

3-ethyl 6-methyl 4-[3-(benzyloxy)phenyl]-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate

IUPAC name

3-ethyl 6-methyl 4-[3-(benzyloxy)phenyl]-27-dimethyl-5-oxo-145678-hexahydroquinoline-36-dicarboxylate

SMILES

CCOC(C(C1c2cc(OCc3ccccc3)ccc2)=C(C)NC(CC(C)C2C(OC)=O)=C1C2=O)=O

InChI

InChI=1S/C29H31NO6/c1-5-35-29(33)24-18(3)30-22-14-17(2)23(28(32)34-4)27(31)26(22)25(24)20-12-9-13-21(15-20)36-16-19-10-7-6-8-11-19/h6-13,15,17,23,25,30H,5,14,16H2,1-4H3

InChI Key

IGDLSJVZSKVZCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04057164

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.762

Distribution Coefficient, logD

0.928

Water Solubility, LogSw

-4.74

Polar Surface Area

72.975

Acid Dissociation Constant (pKa)

3.57

Base Dissociation Constant (pKb)

-3.65

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

34.50

C119-0120 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with C119-0120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C119-0120?
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What is the minimum amount of C119-0120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C119-0120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C119-0120
  • 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 C119-0120 available by request