5161-0003 Screening compound: 4,4,6,8-tetramethyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione

5161-0003 Screening compound: 4,4,6,8-tetramethyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione
5161-0003 Screening compound: 4,4,6,8-tetramethyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5161-0003
4,4,6,8-tetramethyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-1,2-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

5161-0003

Molecular Formula

C15H17NO2 (C15 H17 NO2)

Compound Name

4,4,6,8-tetramethyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione

IUPAC name

691111-tetramethyl-1-azatricyclo[6.3.1.0^{412}]dodeca-468(12)-triene-23-dione

SMILES

CC(CC1(C)C)c2cc(C)cc(C3=O)c2N1C3=O

InChI

InChI=1S/C15H17NO2/c1-8-5-10-9(2)7-15(3,4)16-12(10)11(6-8)13(17)14(16)18/h5-6,9H,7H2,1-4H3/t9-/m1/s1

InChI Key

OBHVGYORQQHBKS-SECBINFHSA-N

MDL Number (MFCD)

MFCD03266463

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

243.31

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.545

Distribution Coefficient, logD

2.545

Water Solubility, LogSw

-2.63

Polar Surface Area

29.839

Acid Dissociation Constant (pKa)

23.07

Base Dissociation Constant (pKb)

1.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.70

5161-0003 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

CNS MPO Library (28609 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5161-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5161-0003?
Check Price and Availability of 5161-0003, 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 5161-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5161-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5161-0003
  • 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 5161-0003 available by request