2496-3927 Screening compound: benzyl 4-[4-(acetyloxy)-3-methoxyphenyl]-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

2496-3927 Screening compound: benzyl 4-[4-(acetyloxy)-3-methoxyphenyl]-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2496-3927 Screening compound: benzyl 4-[4-(acetyloxy)-3-methoxyphenyl]-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2496-3927
benzyl 4-[4-(acetyloxy)-3-methoxyphenyl]-7-(4-methoxyphenyl)-2-methyl-5-oxo-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

2496-3927

Molecular Formula

C34H33NO7 (C34 H33 NO7)

Compound Name

benzyl 4-[4-(acetyloxy)-3-methoxyphenyl]-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

benzyl 4-[4-(acetyloxy)-3-methoxyphenyl]-7-(4-methoxyphenyl)-2-methyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CC(Oc(ccc(C1C(C(CC(C2)c(cc3)ccc3OC)=O)=C2NC(C)=C1C(OCc1ccccc1)=O)c1)c1OC)=O

InChI

InChI=1S/C34H33NO7/c1-20-31(34(38)41-19-22-8-6-5-7-9-22)32(24-12-15-29(42-21(2)36)30(18-24)40-4)33-27(35-20)16-25(17-28(33)37)23-10-13-26(39-3)14-11-23/h5-15,18,25,32,35H,16-17,19H2,1-4H3

InChI Key

BSUISPGUVCRMIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01529837

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

567.64

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.646

Distribution Coefficient, logD

1.423

Water Solubility, LogSw

-5.60

Polar Surface Area

80.519

Acid Dissociation Constant (pKa)

3.18

Base Dissociation Constant (pKb)

-2.65

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

26.50

References: we are preparing a list of scientific research reports with 2496-3927 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2496-3927?
Check Price and Availability of 2496-3927, 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 2496-3927 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2496-3927
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2496-3927
  • 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 2496-3927 available by request