5591-2302 Screening compound: N-[(1Z)-3-[(4-methylphenyl)amino]-4-oxo-1,4-dihydronaphthalen-1-ylidene]thiophene-2-sulfonamide

5591-2302 Screening compound: N-[(1Z)-3-[(4-methylphenyl)amino]-4-oxo-1,4-dihydronaphthalen-1-ylidene]thiophene-2-sulfonamide
5591-2302 Screening compound: N-[(1Z)-3-[(4-methylphenyl)amino]-4-oxo-1,4-dihydronaphthalen-1-ylidene]thiophene-2-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5591-2302
N-[(1Z)-3-[(4-methylphenyl)amino]-4-oxo-1,4-dihydronaphthalen-1-ylidene]thiophene-2-sulfonamide

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

5591-2302

Molecular Formula

C21H16N2O3S2 (C21 H16 N2 O3 S2)

Compound Name

N-[(1Z)-3-[(4-methylphenyl)amino]-4-oxo-1,4-dihydronaphthalen-1-ylidene]thiophene-2-sulfonamide

IUPAC name

N-[(1Z)-3-[(4-methylphenyl)amino]-4-oxo-14-dihydronaphthalen-1-ylidene]thiophene-2-sulfonamide

SMILES

Cc(cc1)ccc1NC(C(c1c2cccc1)=O)=C/C2=N/S(c1cccs1)(=O)=O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.748

Distribution Coefficient, logD

4.729

Water Solubility, LogSw

-4.62

Polar Surface Area

63.151

Acid Dissociation Constant (pKa)

12.18

Base Dissociation Constant (pKb)

6.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

5591-2302 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Kinases Annotated Library (2415 compounds)

Human Proteases Annotated Library (2868 compounds)

Human Receptors Annotated Library (5376 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5591-2302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5591-2302?
Check Price and Availability of 5591-2302, 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 5591-2302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5591-2302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5591-2302
  • 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 5591-2302 available by request