5591-2482 Screening compound: N-[(1Z)-4-oxo-3-({4-[(1E)-2-phenyldiazen-1-yl]phenyl}amino)-1,4-dihydronaphthalen-1-ylidene]thiophene-2-sulfonamide

5591-2482 Screening compound: N-[(1Z)-4-oxo-3-({4-[(1E)-2-phenyldiazen-1-yl]phenyl}amino)-1,4-dihydronaphthalen-1-ylidene]thiophene-2-sulfonamide
5591-2482 Screening compound: N-[(1Z)-4-oxo-3-({4-[(1E)-2-phenyldiazen-1-yl]phenyl}amino)-1,4-dihydronaphthalen-1-ylidene]thiophene-2-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5591-2482
N-[(1Z)-4-oxo-3-({4-[(1E)-2-phenyldiazen-1-yl]phenyl}amino)-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

5591-2482

Molecular Formula

C26H18N4O3S2 (C26 H18 N4 O3 S2)

Compound Name

N-[(1Z)-4-oxo-3-({4-[(1E)-2-phenyldiazen-1-yl]phenyl}amino)-1,4-dihydronaphthalen-1-ylidene]thiophene-2-sulfonamide

IUPAC name

N-[(1Z)-4-oxo-3-({4-[(1E)-2-phenyldiazen-1-yl]phenyl}amino)-14-dihydronaphthalen-1-ylidene]thiophene-2-sulfonamide

SMILES

O=C(c1c2cccc1)C(Nc(cc1)ccc1/N=N/c1ccccc1)=C/C2=N/S(c1cccs1)(=O)=O

InChI

InChI=1S/C26H18N4O3S2/c31-26-22-10-5-4-9-21(22)23(30-35(32,33)25-11-6-16-34-25)17-24(26)27-18-12-14-20(15-13-18)29-28-19-7-2-1-3-8-19/h1-17,27H

InChI Key

ZDYWPYSHCNWLKT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03471540

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.313

Distribution Coefficient, logD

6.313

Water Solubility, LogSw

-6.01

Polar Surface Area

84.838

Acid Dissociation Constant (pKa)

12.02

Base Dissociation Constant (pKb)

-2.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

5591-2482 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5591-2482 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5591-2482?
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What is the minimum amount of 5591-2482 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5591-2482
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5591-2482
  • 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 5591-2482 available by request