8002-5969 Screening compound: N'-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-2,2-diphenylcyclopropane-1-carbohydrazide

8002-5969 Screening compound: N'-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-2,2-diphenylcyclopropane-1-carbohydrazide
8002-5969 Screening compound: N'-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-2,2-diphenylcyclopropane-1-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-5969
N'-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-2,2-diphenylcyclopropane-1-carbohydrazide

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

8002-5969

Molecular Formula

C25H23BrN2O3 (C25 H23 BrN2 O3)

Compound Name

N'-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-2,2-diphenylcyclopropane-1-carbohydrazide

IUPAC name

N'-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-22-diphenylcyclopropane-1-carbohydrazide

SMILES

CCOc1cc(/C=N/NC(C(C2)C2(c2ccccc2)c2ccccc2)=O)cc(Br)c1O

InChI

InChI=1S/C25H23BrN2O3/c1-2-31-22-14-17(13-21(26)23(22)29)16-27-28-24(30)20-15-25(20,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-14,16,20,29H,2,15H2,1H3,(H,28,30)/t20-/m1/s1

InChI Key

OTOUYIOPZJVADH-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD00333170

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.780

Distribution Coefficient, logD

5.140

Water Solubility, LogSw

-5.31

Polar Surface Area

58.224

Acid Dissociation Constant (pKa)

6.87

Base Dissociation Constant (pKb)

0.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

8002-5969 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

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

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
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 8002-5969 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-5969?
Check Price and Availability of 8002-5969, 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 8002-5969 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-5969
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-5969
  • 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 8002-5969 available by request