3490-5516 Screening compound: benzyl 4-(2,4-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

3490-5516 Screening compound: benzyl 4-(2,4-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
3490-5516 Screening compound: benzyl 4-(2,4-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3490-5516
benzyl 4-(2,4-dimethoxyphenyl)-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

3490-5516

Molecular Formula

C32H31NO5 (C32 H31 NO5)

Compound Name

benzyl 4-(2,4-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

benzyl 4-(24-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-145678-hexahydroquinoline-3-carboxylate

SMILES

CC(NC(CC(C1)c2ccccc2)=C(C2c(ccc(OC)c3)c3OC)C1=O)=C2C(OCc1ccccc1)=O

InChI

InChI=1S/C32H31NO5/c1-20-29(32(35)38-19-21-10-6-4-7-11-21)30(25-15-14-24(36-2)18-28(25)37-3)31-26(33-20)16-23(17-27(31)34)22-12-8-5-9-13-22/h4-15,18,23,30,33H,16-17,19H2,1-3H3

InChI Key

UVMOHAJWAKLTTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00771599

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.6

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

6.261

Distribution Coefficient, logD

2.038

Water Solubility, LogSw

-5.52

Polar Surface Area

59.682

Acid Dissociation Constant (pKa)

3.18

Base Dissociation Constant (pKb)

-2.91

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.00

3490-5516 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3490-5516 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3490-5516?
Check Price and Availability of 3490-5516, 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 3490-5516 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3490-5516
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3490-5516
  • 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 3490-5516 available by request