2398-3674 Screening compound: benzyl 4-(3-ethoxy-4-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

2398-3674 Screening compound: benzyl 4-(3-ethoxy-4-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2398-3674 Screening compound: benzyl 4-(3-ethoxy-4-hydroxyphenyl)-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 2398-3674
benzyl 4-(3-ethoxy-4-hydroxyphenyl)-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

2398-3674

Molecular Formula

C33H33NO6 (C33 H33 NO6)

Compound Name

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

IUPAC name

benzyl 4-(3-ethoxy-4-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CCOc(cc(C1C(C(CC(C2)c(cc3)ccc3OC)=O)=C2NC(C)=C1C(OCc1ccccc1)=O)cc1)c1O

InChI

InChI=1S/C33H33NO6/c1-4-39-29-18-23(12-15-27(29)35)31-30(33(37)40-19-21-8-6-5-7-9-21)20(2)34-26-16-24(17-28(36)32(26)31)22-10-13-25(38-3)14-11-22/h5-15,18,24,31,34-35H,4,16-17,19H2,1-3H3

InChI Key

HXALGTPNFRXQHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01446384

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

539.63

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.834

Distribution Coefficient, logD

1.612

Water Solubility, LogSw

-5.37

Polar Surface Area

75.809

Acid Dissociation Constant (pKa)

3.18

Base Dissociation Constant (pKb)

-2.65

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

27.30

2398-3674 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 2398-3674 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2398-3674?
Check Price and Availability of 2398-3674, 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 2398-3674 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2398-3674
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2398-3674
  • 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 2398-3674 available by request