2398-3412 Screening compound: 2-methoxyethyl 4-[4-(benzyloxy)-3-methoxyphenyl]-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

2398-3412 Screening compound: 2-methoxyethyl 4-[4-(benzyloxy)-3-methoxyphenyl]-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2398-3412 Screening compound: 2-methoxyethyl 4-[4-(benzyloxy)-3-methoxyphenyl]-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2398-3412
2-methoxyethyl 4-[4-(benzyloxy)-3-methoxyphenyl]-2-methyl-5-oxo-7-phenyl-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

2398-3412

Molecular Formula

C34H35NO6 (C34 H35 NO6)

Compound Name

2-methoxyethyl 4-[4-(benzyloxy)-3-methoxyphenyl]-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

2-methoxyethyl 4-[4-(benzyloxy)-3-methoxyphenyl]-2-methyl-5-oxo-7-phenyl-145678-hexahydroquinoline-3-carboxylate

SMILES

CC(NC(CC(C1)c2ccccc2)=C(C2c(cc3)cc(OC)c3OCc3ccccc3)C1=O)=C2C(OCCOC)=O

InChI

InChI=1S/C34H35NO6/c1-22-31(34(37)40-17-16-38-2)32(33-27(35-22)18-26(19-28(33)36)24-12-8-5-9-13-24)25-14-15-29(30(20-25)39-3)41-21-23-10-6-4-7-11-23/h4-15,20,26,32,35H,16-19,21H2,1-3H3

InChI Key

QYDFNLXLLUEMLC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00771470

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

553.66

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.297

Distribution Coefficient, logD

0.817

Water Solubility, LogSw

-5.46

Polar Surface Area

67.985

Acid Dissociation Constant (pKa)

2.92

Base Dissociation Constant (pKb)

-2.70

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

29.40

References: we are preparing a list of scientific research reports with 2398-3412 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2398-3412?
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What is the minimum amount of 2398-3412 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2398-3412
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2398-3412
  • 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 2398-3412 available by request