5254-2483 Screening compound: 3-(2H-1,3-benzodioxol-5-yl)benzo[f]quinoline-1-carboxylic acid

5254-2483 Screening compound: 3-(2H-1,3-benzodioxol-5-yl)benzo[f]quinoline-1-carboxylic acid
5254-2483 Screening compound: 3-(2H-1,3-benzodioxol-5-yl)benzo[f]quinoline-1-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5254-2483
3-(2H-1,3-benzodioxol-5-yl)benzo[f]quinoline-1-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

5254-2483

Molecular Formula

C21H13NO4 (C21 H13 NO4)

Compound Name

3-(2H-1,3-benzodioxol-5-yl)benzo[f]quinoline-1-carboxylic acid

IUPAC name

3-(2H-13-benzodioxol-5-yl)benzo[f]quinoline-1-carboxylic acid

SMILES

OC(c1cc(-c(cc2)cc3c2OCO3)nc2ccc(cccc3)c3c12)=O

InChI

InChI=1S/C21H13NO4/c23-21(24)15-10-17(13-6-8-18-19(9-13)26-11-25-18)22-16-7-5-12-3-1-2-4-14(12)20(15)16/h1-10H,11H2,(H,23,24)

InChI Key

GOBLBVNCDNXKKH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03013857

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.432

Distribution Coefficient, logD

0.436

Water Solubility, LogSw

-6.55

Polar Surface Area

53.550

Acid Dissociation Constant (pKa)

3.00

Base Dissociation Constant (pKb)

5.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

5254-2483 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5254-2483 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5254-2483?
Check Price and Availability of 5254-2483, 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 5254-2483 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5254-2483
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5254-2483
  • 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 5254-2483 available by request