C230-0117 Screening compound: 7-(3,4-dimethoxyphenyl)-4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-N-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide

C230-0117 Screening compound: 7-(3,4-dimethoxyphenyl)-4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-N-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
C230-0117 Screening compound: 7-(3,4-dimethoxyphenyl)-4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-N-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C230-0117
7-(3,4-dimethoxyphenyl)-4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-N-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide

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

C230-0117

Molecular Formula

C34H36N2O6 (C34 H36 N2 O6)

Compound Name

7-(3,4-dimethoxyphenyl)-4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-N-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide

IUPAC name

7-(34-dimethoxyphenyl)-4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-N-(4-methylphenyl)-5-oxo-145678-hexahydroquinoline-3-carboxamide

SMILES

CCOc(cc(C1C(C(CC(C2)c(cc3)cc(OC)c3OC)=O)=C2NC(C)=C1C(Nc1ccc(C)cc1)=O)cc1)c1O

InChI

InChI=1S/C34H36N2O6/c1-6-42-29-18-22(9-13-26(29)37)32-31(34(39)36-24-11-7-19(2)8-12-24)20(3)35-25-15-23(16-27(38)33(25)32)21-10-14-28(40-4)30(17-21)41-5/h7-14,17-18,23,32,35,37H,6,15-16H2,1-5H3,(H,36,39)

InChI Key

VLFWGPCPJUMCRI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06194053

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

568.67

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.313

Distribution Coefficient, logD

3.178

Water Solubility, LogSw

-5.08

Polar Surface Area

85.760

Acid Dissociation Constant (pKa)

5.27

Base Dissociation Constant (pKb)

-0.39

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

29.40

C230-0117 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 C230-0117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C230-0117?
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What is the minimum amount of C230-0117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C230-0117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C230-0117
  • 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 C230-0117 available by request