4477-0905 Screening compound: 2-[1-oxo-1-(2,2,4,6,7-pentamethyl-1,2-dihydroquinolin-1-yl)-3-phenylpropan-2-yl]-2,3-dihydro-1H-isoindole-1,3-dione

4477-0905 Screening compound: 2-[1-oxo-1-(2,2,4,6,7-pentamethyl-1,2-dihydroquinolin-1-yl)-3-phenylpropan-2-yl]-2,3-dihydro-1H-isoindole-1,3-dione
4477-0905 Screening compound: 2-[1-oxo-1-(2,2,4,6,7-pentamethyl-1,2-dihydroquinolin-1-yl)-3-phenylpropan-2-yl]-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4477-0905
2-[1-oxo-1-(2,2,4,6,7-pentamethyl-1,2-dihydroquinolin-1-yl)-3-phenylpropan-2-yl]-2,3-dihydro-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

4477-0905

Molecular Formula

C31H30N2O3 (C31 H30 N2 O3)

Compound Name

2-[1-oxo-1-(2,2,4,6,7-pentamethyl-1,2-dihydroquinolin-1-yl)-3-phenylpropan-2-yl]-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

2-[1-oxo-1-(22467-pentamethyl-12-dihydroquinolin-1-yl)-3-phenylpropan-2-yl]-23-dihydro-1H-isoindole-13-dione

SMILES

CC1(C)N(C(C(Cc2ccccc2)N(C(c2c3cccc2)=O)C3=O)=O)c(cc(C)c(C)c2)c2C(C)=C1

InChI

InChI=1S/C31H30N2O3/c1-19-15-25-21(3)18-31(4,5)33(26(25)16-20(19)2)30(36)27(17-22-11-7-6-8-12-22)32-28(34)23-13-9-10-14-24(23)29(32)35/h6-16,18,27H,17H2,1-5H3/t27-/m0/s1

InChI Key

DGJGKFZJTFLAEL-MHZLTWQESA-N

MDL Number (MFCD)

MFCD01171311

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.955

Distribution Coefficient, logD

6.955

Water Solubility, LogSw

-5.81

Polar Surface Area

42.502

Acid Dissociation Constant (pKa)

20.22

Base Dissociation Constant (pKb)

-1.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.80

4477-0905 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Nervous system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4477-0905 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4477-0905?
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What is the minimum amount of 4477-0905 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4477-0905
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4477-0905
  • 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 4477-0905 available by request