4568-7298 Screening compound: 2-(ethylsulfanyl)ethyl 7-(2-methoxyphenyl)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

4568-7298 Screening compound: 2-(ethylsulfanyl)ethyl 7-(2-methoxyphenyl)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
4568-7298 Screening compound: 2-(ethylsulfanyl)ethyl 7-(2-methoxyphenyl)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4568-7298
2-(ethylsulfanyl)ethyl 7-(2-methoxyphenyl)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-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

4568-7298

Molecular Formula

C31H37NO7S (C31 H37 NO7 S)

Compound Name

2-(ethylsulfanyl)ethyl 7-(2-methoxyphenyl)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

2-(ethylsulfanyl)ethyl 7-(2-methoxyphenyl)-2-methyl-5-oxo-4-(345-trimethoxyphenyl)-145678-hexahydroquinoline-3-carboxylate

SMILES

CCSCCOC(C(C1c(cc2OC)cc(OC)c2OC)=C(C)NC(CC(C2)c(cccc3)c3OC)=C1C2=O)=O

InChI

InChI=1S/C31H37NO7S/c1-7-40-13-12-39-31(34)27-18(2)32-22-14-19(21-10-8-9-11-24(21)35-3)15-23(33)29(22)28(27)20-16-25(36-4)30(38-6)26(17-20)37-5/h8-11,16-17,19,28,32H,7,12-15H2,1-6H3

InChI Key

VZFSULRMCJUPMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03231143

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

567.7

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.496

Distribution Coefficient, logD

1.016

Water Solubility, LogSw

-5.43

Polar Surface Area

75.306

Acid Dissociation Constant (pKa)

2.92

Base Dissociation Constant (pKb)

-2.96

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.90

References: we are preparing a list of scientific research reports with 4568-7298 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4568-7298?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4568-7298
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4568-7298
  • 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 4568-7298 available by request