0422-0118 Screening compound: 3,3-dichloro-1-methyl-1,2,3,4-tetrahydroquinoline-2,4-dione

0422-0118 Screening compound: 3,3-dichloro-1-methyl-1,2,3,4-tetrahydroquinoline-2,4-dione
0422-0118 Screening compound: 3,3-dichloro-1-methyl-1,2,3,4-tetrahydroquinoline-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 0422-0118
3,3-dichloro-1-methyl-1,2,3,4-tetrahydroquinoline-2,4-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

0422-0118

Molecular Formula

C10H7Cl2NO2 (C10 H7 Cl2 NO2)

Compound Name

3,3-dichloro-1-methyl-1,2,3,4-tetrahydroquinoline-2,4-dione

IUPAC name

33-dichloro-1-methyl-1234-tetrahydroquinoline-24-dione

SMILES

CN(C(C1(Cl)Cl)=O)c(cccc2)c2C1=O

InChI

InChI=1S/C10H7Cl2NO2/c1-13-7-5-3-2-4-6(7)8(14)10(11,12)9(13)15/h2-5H,1H3

InChI Key

CWHVPZVGWJBXIF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00226480

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

244.08

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

1.943

Distribution Coefficient, logD

1.943

Water Solubility, LogSw

-3.04

Polar Surface Area

28.525

Acid Dissociation Constant (pKa)

31.40

Base Dissociation Constant (pKb)

-9.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

0422-0118 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

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

Frequent Hitters Library (7624 compounds)

Human Ion Channels Annotated Library (353 compounds)

Human Receptors Annotated Library (5376 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Agro:
  • Agro
  • Agro
Structure:
  • Pool
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 0422-0118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0422-0118?
Check Price and Availability of 0422-0118, 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 0422-0118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0422-0118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0422-0118
  • 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 0422-0118 available by request