8005-4716 Screening compound: 2-[(E)-[(5-{N'-[(Z)-[2-(3,5-dinitrobenzoyloxy)phenyl]methylidene]hydrazinecarbonyl}pentanamido)imino]methyl]phenyl 3,5-dinitrobenzoate

8005-4716 Screening compound: 2-[(E)-[(5-{N'-[(Z)-[2-(3,5-dinitrobenzoyloxy)phenyl]methylidene]hydrazinecarbonyl}pentanamido)imino]methyl]phenyl 3,5-dinitrobenzoate
8005-4716 Screening compound: 2-[(E)-[(5-{N'-[(Z)-[2-(3,5-dinitrobenzoyloxy)phenyl]methylidene]hydrazinecarbonyl}pentanamido)imino]methyl]phenyl 3,5-dinitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-4716
2-[(E)-[(5-{N'-[(Z)-[2-(3,5-dinitrobenzoyloxy)phenyl]methylidene]hydrazinecarbonyl}pentanamido)imino]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

8005-4716

Molecular Formula

C34H26N8O14 (C34 H26 N8 O14)

Compound Name

2-[(E)-[(5-{N'-[(Z)-[2-(3,5-dinitrobenzoyloxy)phenyl]methylidene]hydrazinecarbonyl}pentanamido)imino]methyl]phenyl 3,5-dinitrobenzoate

IUPAC name

2-[(E)-[(5-{N'-[(Z)-[2-(35-dinitrobenzoyloxy)phenyl]methylidene]hydrazinecarbonyl}pentanamido)imino]methyl]phenyl 35-dinitrobenzoate

SMILES

[O-][N+](c1cc(C(Oc2c(/C=N/NC(CCCCC(N/N=C\c(cccc3)c3OC(c3cc([N+]([O-])=O)cc([N+]([O-])=O)c3)=O)=O)=O)cccc2)=O)cc([N+]([O-])=O)c1)=O

InChI

InChI=1S/C34H26N8O14/c43-31(37-35-19-21-7-1-3-9-29(21)55-33(45)23-13-25(39(47)48)17-26(14-23)40(49)50)11-5-6-12-32(44)38-36-20-22-8-2-4-10-30(22)56-34(46)24-15-27(41(51)52)18-28(16-24)42(53)54/h1-4,7-10,13-20H,5-6,11-12H2,(H,37,43)(H,38,44)

InChI Key

HUWPFBJXFLKWCW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00819900

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

4.405

Distribution Coefficient, logD

4.400

Water Solubility, LogSw

-4.51

Polar Surface Area

245.170

Acid Dissociation Constant (pKa)

9.36

Base Dissociation Constant (pKb)

0.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

8005-4716 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 8005-4716 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-4716?
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What is the minimum amount of 8005-4716 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-4716
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-4716
  • 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 8005-4716 available by request