8005-5229 Screening compound: methyl 4-[(E)-({4-[(4-methoxybenzenesulfonyl)oxy]phenyl}methylidene)amino]benzoate

8005-5229 Screening compound: methyl 4-[(E)-({4-[(4-methoxybenzenesulfonyl)oxy]phenyl}methylidene)amino]benzoate
8005-5229 Screening compound: methyl 4-[(E)-({4-[(4-methoxybenzenesulfonyl)oxy]phenyl}methylidene)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-5229
methyl 4-[(E)-({4-[(4-methoxybenzenesulfonyl)oxy]phenyl}methylidene)amino]benzoate

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

8005-5229

Molecular Formula

C22H19NO6S (C22 H19 NO6 S)

Compound Name

methyl 4-[(E)-({4-[(4-methoxybenzenesulfonyl)oxy]phenyl}methylidene)amino]benzoate

IUPAC name

methyl 4-[(E)-({4-[(4-methoxybenzenesulfonyl)oxy]phenyl}methylidene)amino]benzoate

SMILES

COC(c(cc1)ccc1/N=C/c(cc1)ccc1OS(c(cc1)ccc1OC)(=O)=O)=O

InChI

InChI=1S/C22H19NO6S/c1-27-19-11-13-21(14-12-19)30(25,26)29-20-9-3-16(4-10-20)15-23-18-7-5-17(6-8-18)22(24)28-2/h3-15H,1-2H3

InChI Key

MHPIBHNRRVWOPD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00820297

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.176

Distribution Coefficient, logD

4.176

Water Solubility, LogSw

-4.28

Polar Surface Area

72.845

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

3.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

8005-5229 in Drug Discovery

Included in Screening Libraries

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 8005-5229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-5229?
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What is the minimum amount of 8005-5229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-5229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-5229
  • 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 8005-5229 available by request