8003-4856 Screening compound: 2-[(E)-[(2-hydroxyphenyl)imino]methyl]-5-[(4-methylbenzenesulfonyl)oxy]phenyl 4-methylbenzene-1-sulfonate

8003-4856 Screening compound: 2-[(E)-[(2-hydroxyphenyl)imino]methyl]-5-[(4-methylbenzenesulfonyl)oxy]phenyl 4-methylbenzene-1-sulfonate
8003-4856 Screening compound: 2-[(E)-[(2-hydroxyphenyl)imino]methyl]-5-[(4-methylbenzenesulfonyl)oxy]phenyl 4-methylbenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-4856
2-[(E)-[(2-hydroxyphenyl)imino]methyl]-5-[(4-methylbenzenesulfonyl)oxy]phenyl 4-methylbenzene-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

8003-4856

Molecular Formula

C27H23NO7S2 (C27 H23 NO7 S2)

Compound Name

2-[(E)-[(2-hydroxyphenyl)imino]methyl]-5-[(4-methylbenzenesulfonyl)oxy]phenyl 4-methylbenzene-1-sulfonate

IUPAC name

2-[(E)-[(2-hydroxyphenyl)imino]methyl]-5-[(4-methylbenzenesulfonyl)oxy]phenyl 4-methylbenzene-1-sulfonate

SMILES

Cc(cc1)ccc1S(Oc1cc(OS(c2ccc(C)cc2)(=O)=O)c(/C=N/c(cccc2)c2O)cc1)(=O)=O

InChI

InChI=1S/C27H23NO7S2/c1-19-7-13-23(14-8-19)36(30,31)34-22-12-11-21(18-28-25-5-3-4-6-26(25)29)27(17-22)35-37(32,33)24-15-9-20(2)10-16-24/h3-18,29H,1-2H3

InChI Key

AGGJTLMNVRLDTA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00744074

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

537.61

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.985

Distribution Coefficient, logD

5.435

Water Solubility, LogSw

-5.38

Polar Surface Area

95.826

Acid Dissociation Constant (pKa)

6.99

Base Dissociation Constant (pKb)

2.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.40

8003-4856 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8003-4856 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-4856?
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What is the minimum amount of 8003-4856 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-4856
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-4856
  • 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 8003-4856 available by request