4582-0206 Screening compound: 2-[1-oxo-3-phenyl-1-(2,2,4-trimethyl-4-phenyl-1,2,3,4-tetrahydroquinolin-1-yl)propan-2-yl]-octahydro-1H-isoindole-1,3-dione

4582-0206 Screening compound: 2-[1-oxo-3-phenyl-1-(2,2,4-trimethyl-4-phenyl-1,2,3,4-tetrahydroquinolin-1-yl)propan-2-yl]-octahydro-1H-isoindole-1,3-dione
4582-0206 Screening compound: 2-[1-oxo-3-phenyl-1-(2,2,4-trimethyl-4-phenyl-1,2,3,4-tetrahydroquinolin-1-yl)propan-2-yl]-octahydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4582-0206
2-[1-oxo-3-phenyl-1-(2,2,4-trimethyl-4-phenyl-1,2,3,4-tetrahydroquinolin-1-yl)propan-2-yl]-octahydro-1H-isoindole-1,3-dione

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

4582-0206

Molecular Formula

C35H38N2O3 (C35 H38 N2 O3)

Compound Name

2-[1-oxo-3-phenyl-1-(2,2,4-trimethyl-4-phenyl-1,2,3,4-tetrahydroquinolin-1-yl)propan-2-yl]-octahydro-1H-isoindole-1,3-dione

IUPAC name

2-[1-oxo-3-phenyl-1-(224-trimethyl-4-phenyl-1234-tetrahydroquinolin-1-yl)propan-2-yl]-octahydro-1H-isoindole-13-dione

SMILES

CC(C)(CC1(C)c2ccccc2)N(C(C(Cc2ccccc2)N(C(C2C3CCCC2)=O)C3=O)=O)c2c1cccc2

InChI

InChI=1S/C35H38N2O3/c1-34(2)23-35(3,25-16-8-5-9-17-25)28-20-12-13-21-29(28)37(34)33(40)30(22-24-14-6-4-7-15-24)36-31(38)26-18-10-11-19-27(26)32(36)39/h4-9,12-17,20-21,26-27,30H,10-11,18-19,22-23H2,1-3H3

InChI Key

TZCBGNBTWNPDLP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03164978

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

534.7

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.118

Distribution Coefficient, logD

6.118

Water Solubility, LogSw

-5.50

Polar Surface Area

42.423

Acid Dissociation Constant (pKa)

19.40

Base Dissociation Constant (pKb)

2.77

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

40.00

4582-0206 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 4582-0206 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4582-0206?
Check Price and Availability of 4582-0206, 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 4582-0206 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4582-0206
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4582-0206
  • 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 4582-0206 available by request