C119-0078 Screening compound: 3-ethyl 6-methyl 4-(3,4-dimethoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate

C119-0078 Screening compound: 3-ethyl 6-methyl 4-(3,4-dimethoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
C119-0078 Screening compound: 3-ethyl 6-methyl 4-(3,4-dimethoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C119-0078
3-ethyl 6-methyl 4-(3,4-dimethoxyphenyl)-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

C119-0078

Molecular Formula

C24H29NO7 (C24 H29 NO7)

Compound Name

3-ethyl 6-methyl 4-(3,4-dimethoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate

IUPAC name

3-ethyl 6-methyl 4-(34-dimethoxyphenyl)-27-dimethyl-5-oxo-145678-hexahydroquinoline-36-dicarboxylate

SMILES

CCOC(C(C1c(cc2)cc(OC)c2OC)=C(C)NC(CC(C)C2C(OC)=O)=C1C2=O)=O

InChI

InChI=1S/C24H29NO7/c1-7-32-24(28)19-13(3)25-15-10-12(2)18(23(27)31-6)22(26)21(15)20(19)14-8-9-16(29-4)17(11-14)30-5/h8-9,11-12,18,20,25H,7,10H2,1-6H3

InChI Key

ZTTUZRARXLILAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04057122

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.972

Distribution Coefficient, logD

-0.862

Water Solubility, LogSw

-3.33

Polar Surface Area

81.008

Acid Dissociation Constant (pKa)

3.57

Base Dissociation Constant (pKb)

-3.65

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

45.80

C119-0078 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C119-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C119-0078?
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What is the minimum amount of C119-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C119-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C119-0078
  • 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 C119-0078 available by request