3705-5841 Screening compound: 4-(3-ethoxyphenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide

3705-5841 Screening compound: 4-(3-ethoxyphenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
3705-5841 Screening compound: 4-(3-ethoxyphenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3705-5841
4-(3-ethoxyphenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide

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

3705-5841

Molecular Formula

C26H28N2O3 (C26 H28 N2 O3)

Compound Name

4-(3-ethoxyphenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide

IUPAC name

4-(3-ethoxyphenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-145678-hexahydroquinoline-3-carboxamide

SMILES

CCOc1cccc(C2C(C(CCC3)=O)=C3NC(C)=C2C(Nc2c(C)cccc2)=O)c1

InChI

InChI=1S/C26H28N2O3/c1-4-31-19-11-7-10-18(15-19)24-23(26(30)28-20-12-6-5-9-16(20)2)17(3)27-21-13-8-14-22(29)25(21)24/h5-7,9-12,15,24,27H,4,8,13-14H2,1-3H3,(H,28,30)/t24-/m0/s1

InChI Key

RFNCFAXJYZNSAM-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD02105006

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.227

Distribution Coefficient, logD

2.668

Water Solubility, LogSw

-4.28

Polar Surface Area

53.438

Acid Dissociation Constant (pKa)

5.85

Base Dissociation Constant (pKb)

0.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

3705-5841 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 3705-5841 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3705-5841?
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What is the minimum amount of 3705-5841 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3705-5841
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3705-5841
  • 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 3705-5841 available by request