8009-1965 Screening compound: methyl 7-(4-methoxyphenyl)-2-methyl-5-oxo-4-(4-propoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

8009-1965 Screening compound: methyl 7-(4-methoxyphenyl)-2-methyl-5-oxo-4-(4-propoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
8009-1965 Screening compound: methyl 7-(4-methoxyphenyl)-2-methyl-5-oxo-4-(4-propoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-1965
methyl 7-(4-methoxyphenyl)-2-methyl-5-oxo-4-(4-propoxyphenyl)-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

8009-1965

Molecular Formula

C28H31NO5 (C28 H31 NO5)

Compound Name

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

IUPAC name

methyl 7-(4-methoxyphenyl)-2-methyl-5-oxo-4-(4-propoxyphenyl)-145678-hexahydroquinoline-3-carboxylate

SMILES

CCCOc1ccc(C2C(C(CC(C3)c(cc4)ccc4OC)=O)=C3NC(C)=C2C(OC)=O)cc1

InChI

InChI=1S/C28H31NO5/c1-5-14-34-22-12-8-19(9-13-22)26-25(28(31)33-4)17(2)29-23-15-20(16-24(30)27(23)26)18-6-10-21(32-3)11-7-18/h6-13,20,26,29H,5,14-16H2,1-4H3

InChI Key

CKBGUPVTOQBLEU-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.523

Distribution Coefficient, logD

1.042

Water Solubility, LogSw

-5.55

Polar Surface Area

59.785

Acid Dissociation Constant (pKa)

2.92

Base Dissociation Constant (pKb)

-2.62

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.70

References: we are preparing a list of scientific research reports with 8009-1965 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-1965?
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What is the minimum amount of 8009-1965 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-1965
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-1965
  • 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 8009-1965 available by request