8013-8838 Screening compound: propyl 4-(2,5-dimethoxyphenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

8013-8838 Screening compound: propyl 4-(2,5-dimethoxyphenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
8013-8838 Screening compound: propyl 4-(2,5-dimethoxyphenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-8838
propyl 4-(2,5-dimethoxyphenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

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

8013-8838

Molecular Formula

C29H33NO6 (C29 H33 NO6)

Compound Name

propyl 4-(2,5-dimethoxyphenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

IUPAC name

propyl 4-(25-dimethoxyphenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CCCOC(C(C1c(cc(cc2)OC)c2OC)=C(C)NC(CC(C2)c(cccc3)c3OC)=C1C2=O)=O

InChI

InChI=1S/C29H33NO6/c1-6-13-36-29(32)26-17(2)30-22-14-18(20-9-7-8-10-24(20)34-4)15-23(31)28(22)27(26)21-16-19(33-3)11-12-25(21)35-5/h7-12,16,18,27,30H,6,13-15H2,1-5H3

InChI Key

USMWQQWZNCAKQV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03146495

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.036

Distribution Coefficient, logD

1.556

Water Solubility, LogSw

-5.49

Polar Surface Area

67.502

Acid Dissociation Constant (pKa)

2.92

Base Dissociation Constant (pKb)

-3.21

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.93

References: we are preparing a list of scientific research reports with 8013-8838 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-8838?
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What is the minimum amount of 8013-8838 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-8838
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-8838
  • 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 8013-8838 available by request