8005-4038 Screening compound: 2-[(E)-{[2-hydroxy-5-({4-hydroxy-3-[(E)-[(2-hydroxy-3,5-dinitrophenyl)methylidene]amino]phenyl}methyl)phenyl]imino}methyl]-4,6-dinitrophenol

8005-4038 Screening compound: 2-[(E)-{[2-hydroxy-5-({4-hydroxy-3-[(E)-[(2-hydroxy-3,5-dinitrophenyl)methylidene]amino]phenyl}methyl)phenyl]imino}methyl]-4,6-dinitrophenol
8005-4038 Screening compound: 2-[(E)-{[2-hydroxy-5-({4-hydroxy-3-[(E)-[(2-hydroxy-3,5-dinitrophenyl)methylidene]amino]phenyl}methyl)phenyl]imino}methyl]-4,6-dinitrophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-4038
2-[(E)-{[2-hydroxy-5-({4-hydroxy-3-[(E)-[(2-hydroxy-3,5-dinitrophenyl)methylidene]amino]phenyl}methyl)phenyl]imino}methyl]-4,6-dinitrophenol

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

8005-4038

Molecular Formula

C27H18N6O12 (C27 H18 N6 O12)

Compound Name

2-[(E)-{[2-hydroxy-5-({4-hydroxy-3-[(E)-[(2-hydroxy-3,5-dinitrophenyl)methylidene]amino]phenyl}methyl)phenyl]imino}methyl]-4,6-dinitrophenol

IUPAC name

2-[(E)-{[2-hydroxy-5-({4-hydroxy-3-[(E)-[(2-hydroxy-35-dinitrophenyl)methylidene]amino]phenyl}methyl)phenyl]imino}methyl]-46-dinitrophenol

SMILES

[O-][N+](c(cc1[N+]([O-])=O)cc(/C=N/c(cc(Cc(cc2)cc(/N=C/c3cc([N+]([O-])=O)cc([N+]([O-])=O)c3O)c2O)cc2)c2O)c1O)=O

InChI

InChI=1S/C27H18N6O12/c34-24-3-1-14(6-20(24)28-12-16-8-18(30(38)39)10-22(26(16)36)32(42)43)5-15-2-4-25(35)21(7-15)29-13-17-9-19(31(40)41)11-23(27(17)37)33(44)45/h1-4,6-13,34-37H,5H2

InChI Key

SEMOWJGMXGAODI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00819527

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

618.47

Hydrogen Bond Acceptors Count

22.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

18

Partition Coefficient, logP

6.040

Distribution Coefficient, logD

1.212

Water Solubility, LogSw

-5.81

Polar Surface Area

211.805

Acid Dissociation Constant (pKa)

2.57

Base Dissociation Constant (pKb)

1.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.70

8005-4038 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 8005-4038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-4038?
Check Price and Availability of 8005-4038, 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 8005-4038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-4038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-4038
  • 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 8005-4038 available by request