8006-3591 Screening compound: 4-[((E)-2-{6-[2-((E)-1-{4-[(3,5-dinitrobenzoyl)oxy]phenyl}methylidene)hydrazino]-6-oxohexanoyl}hydrazono)methyl]phenyl 3,5-dinitrobenzoate

8006-3591 Screening compound: 4-[((E)-2-{6-[2-((E)-1-{4-[(3,5-dinitrobenzoyl)oxy]phenyl}methylidene)hydrazino]-6-oxohexanoyl}hydrazono)methyl]phenyl 3,5-dinitrobenzoate
8006-3591 Screening compound: 4-[((E)-2-{6-[2-((E)-1-{4-[(3,5-dinitrobenzoyl)oxy]phenyl}methylidene)hydrazino]-6-oxohexanoyl}hydrazono)methyl]phenyl 3,5-dinitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-3591
4-[((E)-2-{6-[2-((E)-1-{4-[(3,5-dinitrobenzoyl)oxy]phenyl}methylidene)hydrazino]-6-oxohexanoyl}hydrazono)methyl]phenyl 3,5-dinitrobenzoate

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

8006-3591

Molecular Formula

C34H26N8O14 (C34 H26 N8 O14)

Compound Name

4-[((E)-2-{6-[2-((E)-1-{4-[(3,5-dinitrobenzoyl)oxy]phenyl}methylidene)hydrazino]-6-oxohexanoyl}hydrazono)methyl]phenyl 3,5-dinitrobenzoate

IUPAC name

4-[(E)-[(5-{N'-[(E)-[4-(35-dinitrobenzoyloxy)phenyl]methylidene]hydrazinecarbonyl}pentanamido)imino]methyl]phenyl 35-dinitrobenzoate

SMILES

[O-][N+](c1cc(C(Oc2ccc(/C=N/NC(CCCCC(N/N=C/c(cc3)ccc3OC(c3cc([N+]([O-])=O)cc([N+]([O-])=O)c3)=O)=O)=O)cc2)=O)cc([N+]([O-])=O)c1)=O

InChI

InChI=1S/C34H26N8O14/c43-31(37-35-19-21-5-9-29(10-6-21)55-33(45)23-13-25(39(47)48)17-26(14-23)40(49)50)3-1-2-4-32(44)38-36-20-22-7-11-30(12-8-22)56-34(46)24-15-27(41(51)52)18-28(16-24)42(53)54/h5-20H,1-4H2,(H,37,43)(H,38,44)

InChI Key

QJLLUFBEAHXKBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00824733

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

770.63

Hydrogen Bond Acceptors Count

28.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

21.00

Number of Nitrogen and Oxygen Atoms

22

Partition Coefficient, logP

3.883

Distribution Coefficient, logD

3.880

Water Solubility, LogSw

-4.06

Polar Surface Area

244.997

Acid Dissociation Constant (pKa)

9.60

Base Dissociation Constant (pKb)

4.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.76

8006-3591 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 8006-3591 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-3591?
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What is the minimum amount of 8006-3591 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-3591
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-3591
  • 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 8006-3591 available by request