4404-0025 Screening compound: 3,6-diethyl 4-[4-(diethylamino)phenyl]-7-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate

4404-0025 Screening compound: 3,6-diethyl 4-[4-(diethylamino)phenyl]-7-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
4404-0025 Screening compound: 3,6-diethyl 4-[4-(diethylamino)phenyl]-7-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4404-0025
3,6-diethyl 4-[4-(diethylamino)phenyl]-7-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate

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

4404-0025

Molecular Formula

C33H40N2O6 (C33 H40 N2 O6)

Compound Name

3,6-diethyl 4-[4-(diethylamino)phenyl]-7-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate

IUPAC name

36-diethyl 4-[4-(diethylamino)phenyl]-7-(2-methoxyphenyl)-2-methyl-5-oxo-145678-hexahydroquinoline-36-dicarboxylate

SMILES

CCN(CC)c1ccc(C2C(C(C(C(C3)c(cccc4)c4OC)C(OCC)=O)=O)=C3NC(C)=C2C(OCC)=O)cc1

InChI

InChI=1S/C33H40N2O6/c1-7-35(8-2)22-17-15-21(16-18-22)28-27(32(37)40-9-3)20(5)34-25-19-24(23-13-11-12-14-26(23)39-6)29(31(36)30(25)28)33(38)41-10-4/h11-18,24,28-29,34H,7-10,19H2,1-6H3

InChI Key

FKXFAIVAZFLUCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03081458

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

560.69

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.853

Distribution Coefficient, logD

1.630

Water Solubility, LogSw

-5.53

Polar Surface Area

75.422

Acid Dissociation Constant (pKa)

3.18

Base Dissociation Constant (pKb)

7.09

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

42.40

4404-0025 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 4404-0025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4404-0025?
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What is the minimum amount of 4404-0025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4404-0025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4404-0025
  • 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 4404-0025 available by request