8001-0457 Screening compound: 4-[(E)-[({4-[(E)-({4-[(4-methyl-3-nitrobenzenesulfonyl)oxy]phenyl}methylidene)amino]phenyl}formamido)imino]methyl]phenyl 4-methyl-3-nitrobenzene-1-sulfonate

8001-0457 Screening compound: 4-[(E)-[({4-[(E)-({4-[(4-methyl-3-nitrobenzenesulfonyl)oxy]phenyl}methylidene)amino]phenyl}formamido)imino]methyl]phenyl 4-methyl-3-nitrobenzene-1-sulfonate
8001-0457 Screening compound: 4-[(E)-[({4-[(E)-({4-[(4-methyl-3-nitrobenzenesulfonyl)oxy]phenyl}methylidene)amino]phenyl}formamido)imino]methyl]phenyl 4-methyl-3-nitrobenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-0457
4-[(E)-[({4-[(E)-({4-[(4-methyl-3-nitrobenzenesulfonyl)oxy]phenyl}methylidene)amino]phenyl}formamido)imino]methyl]phenyl 4-methyl-3-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

8001-0457

Molecular Formula

C35H27N5O11S2 (C35 H27 N5 O11 S2)

Compound Name

4-[(E)-[({4-[(E)-({4-[(4-methyl-3-nitrobenzenesulfonyl)oxy]phenyl}methylidene)amino]phenyl}formamido)imino]methyl]phenyl 4-methyl-3-nitrobenzene-1-sulfonate

IUPAC name

4-[(E)-[({4-[(E)-({4-[(4-methyl-3-nitrobenzenesulfonyl)oxy]phenyl}methylidene)amino]phenyl}formamido)imino]methyl]phenyl 4-methyl-3-nitrobenzene-1-sulfonate

SMILES

Cc(ccc(S(Oc1ccc(/C=N/c(cc2)ccc2C(N/N=C/c(cc2)ccc2OS(c2cc([N+]([O-])=O)c(C)cc2)(=O)=O)=O)cc1)(=O)=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C35H27N5O11S2/c1-23-3-17-31(19-33(23)39(42)43)52(46,47)50-29-13-5-25(6-14-29)21-36-28-11-9-27(10-12-28)35(41)38-37-22-26-7-15-30(16-8-26)51-53(48,49)32-18-4-24(2)34(20-32)40(44)45/h3-22H,1-2H3,(H,38,41)

InChI Key

FRWCWJOFBOIIRZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00731455

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

757.76

Hydrogen Bond Acceptors Count

22.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

16

Partition Coefficient, logP

6.658

Distribution Coefficient, logD

6.642

Water Solubility, LogSw

-5.67

Polar Surface Area

181.366

Acid Dissociation Constant (pKa)

8.83

Base Dissociation Constant (pKb)

3.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.70

8001-0457 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8001-0457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-0457?
Check Price and Availability of 8001-0457, 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 8001-0457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-0457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-0457
  • 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 8001-0457 available by request