4223-7031 Screening compound: methyl 7-(3,4-dimethoxyphenyl)-4-(3-ethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

4223-7031 Screening compound: methyl 7-(3,4-dimethoxyphenyl)-4-(3-ethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
4223-7031 Screening compound: methyl 7-(3,4-dimethoxyphenyl)-4-(3-ethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4223-7031
methyl 7-(3,4-dimethoxyphenyl)-4-(3-ethoxyphenyl)-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

4223-7031

Molecular Formula

C28H31NO6 (C28 H31 NO6)

Compound Name

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

IUPAC name

methyl 7-(34-dimethoxyphenyl)-4-(3-ethoxyphenyl)-2-methyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CCOc1cccc(C2C(C(CC(C3)c(cc4)cc(OC)c4OC)=O)=C3NC(C)=C2C(OC)=O)c1

InChI

InChI=1S/C28H31NO6/c1-6-35-20-9-7-8-18(12-20)26-25(28(31)34-5)16(2)29-21-13-19(14-22(30)27(21)26)17-10-11-23(32-3)24(15-17)33-4/h7-12,15,19,26,29H,6,13-14H2,1-5H3

InChI Key

HWHMWEKYYJPSSM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02224268

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.477

Distribution Coefficient, logD

-0.003

Water Solubility, LogSw

-4.40

Polar Surface Area

67.208

Acid Dissociation Constant (pKa)

2.92

Base Dissociation Constant (pKb)

-2.62

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.70

4223-7031 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 4223-7031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4223-7031?
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What is the minimum amount of 4223-7031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4223-7031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4223-7031
  • 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 4223-7031 available by request