3269-0394 Screening compound: N'-[(E)-[4-(benzyloxy)-2-bromo-5-ethoxyphenyl]methylidene]-2-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide

3269-0394 Screening compound: N'-[(E)-[4-(benzyloxy)-2-bromo-5-ethoxyphenyl]methylidene]-2-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide
3269-0394 Screening compound: N'-[(E)-[4-(benzyloxy)-2-bromo-5-ethoxyphenyl]methylidene]-2-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3269-0394
N'-[(E)-[4-(benzyloxy)-2-bromo-5-ethoxyphenyl]methylidene]-2-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide

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

3269-0394

Molecular Formula

C25H21BrF3N3O5 (C25 H21 BrF3 N3 O5)

Compound Name

N'-[(E)-[4-(benzyloxy)-2-bromo-5-ethoxyphenyl]methylidene]-2-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide

IUPAC name

N'-[(E)-[4-(benzyloxy)-2-bromo-5-ethoxyphenyl]methylidene]-2-[2-nitro-4-(trifluoromethyl)phenyl]acetohydrazide

SMILES

CCOc(c(OCc1ccccc1)c1)cc(/C=N/NC(Cc(ccc(C(F)(F)F)c2)c2[N+]([O-])=O)=O)c1Br

InChI

InChI=1S/C25H21BrF3N3O5/c1-2-36-22-10-18(20(26)13-23(22)37-15-16-6-4-3-5-7-16)14-30-31-24(33)11-17-8-9-19(25(27,28)29)12-21(17)32(34)35/h3-10,12-14H,2,11,15H2,1H3,(H,31,33)

InChI Key

OGRSMALECMCSCE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02047048

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

580.36

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.748

Distribution Coefficient, logD

5.746

Water Solubility, LogSw

-5.61

Polar Surface Area

82.946

Acid Dissociation Constant (pKa)

9.58

Base Dissociation Constant (pKb)

2.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

3269-0394 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 3269-0394 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3269-0394?
Check Price and Availability of 3269-0394, 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 3269-0394 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3269-0394
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3269-0394
  • 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 3269-0394 available by request