8004-1612 Screening compound: 4-[((Z)-2-{2-[4-(2-{2-[(Z)-1-(4-{[(4-nitrophenyl)sulfonyl]oxy}phenyl)methylidene]hydrazino}-2-oxoethyl)piperazino]acetyl}hydrazono)methyl]phenyl 4-nitro-1-benzenesulfonate

8004-1612 Screening compound: 4-[((Z)-2-{2-[4-(2-{2-[(Z)-1-(4-{[(4-nitrophenyl)sulfonyl]oxy}phenyl)methylidene]hydrazino}-2-oxoethyl)piperazino]acetyl}hydrazono)methyl]phenyl 4-nitro-1-benzenesulfonate
8004-1612 Screening compound: 4-[((Z)-2-{2-[4-(2-{2-[(Z)-1-(4-{[(4-nitrophenyl)sulfonyl]oxy}phenyl)methylidene]hydrazino}-2-oxoethyl)piperazino]acetyl}hydrazono)methyl]phenyl 4-nitro-1-benzenesulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-1612
4-[((Z)-2-{2-[4-(2-{2-[(Z)-1-(4-{[(4-nitrophenyl)sulfonyl]oxy}phenyl)methylidene]hydrazino}-2-oxoethyl)piperazino]acetyl}hydrazono)methyl]phenyl 4-nitro-1-benzenesulfonate

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

8004-1612

Molecular Formula

C34H32N8O12S2 (C34 H32 N8 O12 S2)

Compound Name

4-[((Z)-2-{2-[4-(2-{2-[(Z)-1-(4-{[(4-nitrophenyl)sulfonyl]oxy}phenyl)methylidene]hydrazino}-2-oxoethyl)piperazino]acetyl}hydrazono)methyl]phenyl 4-nitro-1-benzenesulfonate

IUPAC name

4-[(Z)-({2-[4-({N'-[(Z)-{4-[(4-nitrobenzenesulfonyl)oxy]phenyl}methylidene]hydrazinecarbonyl}methyl)piperazin-1-yl]acetamido}imino)methyl]phenyl 4-nitrobenzene-1-sulfonate

SMILES

[O-][N+](c(cc1)ccc1S(Oc1ccc(/C=N\NC(CN2CCN(CC(N/N=C\c(cc3)ccc3OS(c(cc3)ccc3[N+]([O-])=O)(=O)=O)=O)CC2)=O)cc1)(=O)=O)=O

InChI

InChI=1S/C34H32N8O12S2/c43-33(37-35-21-25-1-9-29(10-2-25)53-55(49,50)31-13-5-27(6-14-31)41(45)46)23-39-17-19-40(20-18-39)24-34(44)38-36-22-26-3-11-30(12-4-26)54-56(51,52)32-15-7-28(8-16-32)42(47)48/h1-16,21-22H,17-20,23-24H2,(H,37,43)(H,38,44)

InChI Key

LTWHQFPLYNAFTH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00302436

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

808.81

Hydrogen Bond Acceptors Count

26.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

18.00

Number of Nitrogen and Oxygen Atoms

20

Partition Coefficient, logP

3.898

Distribution Coefficient, logD

3.894

Water Solubility, LogSw

-4.00

Polar Surface Area

216.545

Acid Dissociation Constant (pKa)

10.48

Base Dissociation Constant (pKb)

5.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.65

8004-1612 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8004-1612 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-1612?
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What is the minimum amount of 8004-1612 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-1612
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-1612
  • 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 8004-1612 available by request