3481-0019 Screening compound: 2-amino-3-benzoyl-1,4-diphenyl-1,4,5,6,7,8-hexahydroquinolin-5-one

3481-0019 Screening compound: 2-amino-3-benzoyl-1,4-diphenyl-1,4,5,6,7,8-hexahydroquinolin-5-one
3481-0019 Screening compound: 2-amino-3-benzoyl-1,4-diphenyl-1,4,5,6,7,8-hexahydroquinolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3481-0019
2-amino-3-benzoyl-1,4-diphenyl-1,4,5,6,7,8-hexahydroquinolin-5-one

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

3481-0019

Molecular Formula

C28H24N2O2 (C28 H24 N2 O2)

Compound Name

2-amino-3-benzoyl-1,4-diphenyl-1,4,5,6,7,8-hexahydroquinolin-5-one

IUPAC name

2-amino-3-benzoyl-14-diphenyl-145678-hexahydroquinolin-5-one

SMILES

NC(N(C(CCC1)=C(C2c3ccccc3)C1=O)c1ccccc1)=C2C(c1ccccc1)=O

InChI

InChI=1S/C28H24N2O2/c29-28-26(27(32)20-13-6-2-7-14-20)24(19-11-4-1-5-12-19)25-22(17-10-18-23(25)31)30(28)21-15-8-3-9-16-21/h1-9,11-16,24H,10,17-18,29H2/t24-/m1/s1

InChI Key

LLVCBHUISSVKFB-XMMPIXPASA-N

MDL Number (MFCD)

MFCD01994289

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.444

Distribution Coefficient, logD

4.444

Water Solubility, LogSw

-4.62

Polar Surface Area

48.788

Acid Dissociation Constant (pKa)

17.06

Base Dissociation Constant (pKb)

-3.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

3481-0019 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3481-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3481-0019?
Check Price and Availability of 3481-0019, 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 3481-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3481-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3481-0019
  • 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 3481-0019 available by request