K087-0449 Screening compound: N'-[(E)-{3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl}methylidene]-4-tert-butylbenzohydrazide

K087-0449 Screening compound: N'-[(E)-{3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl}methylidene]-4-tert-butylbenzohydrazide
K087-0449 Screening compound: N'-[(E)-{3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl}methylidene]-4-tert-butylbenzohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound K087-0449
N'-[(E)-{3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl}methylidene]-4-tert-butylbenzohydrazide

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

K087-0449

Molecular Formula

C26H26BrClN2O3 (C26 H26 BrClN2 O3)

Compound Name

N'-[(E)-{3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl}methylidene]-4-tert-butylbenzohydrazide

IUPAC name

N'-[(E)-{3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl}methylidene]-4-tert-butylbenzohydrazide

SMILES

CC(C)(C)c(cc1)ccc1C(N/N=C/c(cc1OC)cc(Br)c1OCc(cccc1)c1Cl)=O

InChI

InChI=1S/C26H26BrClN2O3/c1-26(2,3)20-11-9-18(10-12-20)25(31)30-29-15-17-13-21(27)24(23(14-17)32-4)33-16-19-7-5-6-8-22(19)28/h5-15H,16H2,1-4H3,(H,30,31)

InChI Key

VCEYTUDVGBOOHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01539064

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

529.86

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.456

Distribution Coefficient, logD

7.412

Water Solubility, LogSw

-6.33

Polar Surface Area

50.585

Acid Dissociation Constant (pKa)

8.37

Base Dissociation Constant (pKb)

3.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

K087-0449 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 K087-0449 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K087-0449?
Check Price and Availability of K087-0449, 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 K087-0449 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K087-0449
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K087-0449
  • 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 K087-0449 available by request