5991-0317 Screening compound: 2-methoxyethyl 7-(2-methoxyphenyl)-2-methyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

5991-0317 Screening compound: 2-methoxyethyl 7-(2-methoxyphenyl)-2-methyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
5991-0317 Screening compound: 2-methoxyethyl 7-(2-methoxyphenyl)-2-methyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5991-0317
2-methoxyethyl 7-(2-methoxyphenyl)-2-methyl-5-oxo-4-(2,3,4-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

5991-0317

Molecular Formula

C30H35NO8 (C30 H35 NO8)

Compound Name

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

IUPAC name

2-methoxyethyl 7-(2-methoxyphenyl)-2-methyl-5-oxo-4-(234-trimethoxyphenyl)-145678-hexahydroquinoline-3-carboxylate

SMILES

CC(NC(CC(C1)c(cccc2)c2OC)=C(C2c(ccc(OC)c3OC)c3OC)C1=O)=C2C(OCCOC)=O

InChI

InChI=1S/C30H35NO8/c1-17-25(30(33)39-14-13-34-2)26(20-11-12-24(36-4)29(38-6)28(20)37-5)27-21(31-17)15-18(16-22(27)32)19-9-7-8-10-23(19)35-3/h7-12,18,26,31H,13-16H2,1-6H3

InChI Key

KOWYPYDYMVJUGQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03371072

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

537.61

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.328

Distribution Coefficient, logD

-0.152

Water Solubility, LogSw

-4.46

Polar Surface Area

83.735

Acid Dissociation Constant (pKa)

2.92

Base Dissociation Constant (pKb)

-3.21

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with 5991-0317 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5991-0317?
Check Price and Availability of 5991-0317, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5991-0317 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5991-0317
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5991-0317
  • 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 5991-0317 available by request