8005-5268 Screening compound: 4-[(E)-[(2,4-dimethylphenyl)imino]methyl]phenyl 4-nitrobenzene-1-sulfonate

8005-5268 Screening compound: 4-[(E)-[(2,4-dimethylphenyl)imino]methyl]phenyl 4-nitrobenzene-1-sulfonate
8005-5268 Screening compound: 4-[(E)-[(2,4-dimethylphenyl)imino]methyl]phenyl 4-nitrobenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-5268
4-[(E)-[(2,4-dimethylphenyl)imino]methyl]phenyl 4-nitrobenzene-1-sulfonate

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

8005-5268

Molecular Formula

C21H18N2O5S (C21 H18 N2 O5 S)

Compound Name

4-[(E)-[(2,4-dimethylphenyl)imino]methyl]phenyl 4-nitrobenzene-1-sulfonate

IUPAC name

4-[(E)-[(24-dimethylphenyl)imino]methyl]phenyl 4-nitrobenzene-1-sulfonate

SMILES

Cc(cc1)cc(C)c1/N=C/c(cc1)ccc1OS(c(cc1)ccc1[N+]([O-])=O)(=O)=O

InChI

InChI=1S/C21H18N2O5S/c1-15-3-12-21(16(2)13-15)22-14-17-4-8-19(9-5-17)28-29(26,27)20-10-6-18(7-11-20)23(24)25/h3-14H,1-2H3

InChI Key

BIJLNNAZKDTPLV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00820319

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.271

Distribution Coefficient, logD

5.269

Water Solubility, LogSw

-5.31

Polar Surface Area

76.811

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

5.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

8005-5268 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

New Agro Library (44492 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8005-5268 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-5268?
Check Price and Availability of 8005-5268, 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 8005-5268 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-5268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-5268
  • 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 8005-5268 available by request