8010-0221 Screening compound: 7-chloro-6-methyl-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline-4-carboxylic acid

8010-0221 Screening compound: 7-chloro-6-methyl-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline-4-carboxylic acid
8010-0221 Screening compound: 7-chloro-6-methyl-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-0221
7-chloro-6-methyl-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline-4-carboxylic acid

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

8010-0221

Molecular Formula

C14H14ClNO2 (C14 H14 ClNO2)

Compound Name

7-chloro-6-methyl-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline-4-carboxylic acid

IUPAC name

7-chloro-6-methyl-3H3aH4H5H9bH-cyclopenta[c]quinoline-4-carboxylic acid

SMILES

Cc(c(NC(C1C2C=CC1)C(O)=O)c2cc1)c1Cl

InChI

InChI=1S/C14H14ClNO2/c1-7-11(15)6-5-10-8-3-2-4-9(8)13(14(17)18)16-12(7)10/h2-3,5-6,8-9,13,16H,4H2,1H3,(H,17,18)

InChI Key

XFHJYHWLYWRLBP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01047019

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

263.72

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.304

Distribution Coefficient, logD

-0.710

Water Solubility, LogSw

-2.81

Polar Surface Area

38.749

Acid Dissociation Constant (pKa)

4.39

Base Dissociation Constant (pKb)

-1.81

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

35.70

8010-0221 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8010-0221 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-0221?
Check Price and Availability of 8010-0221, 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 8010-0221 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-0221
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-0221
  • 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 8010-0221 available by request