K089-0001 Screening compound: N'-[(E)-{3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl}methylidene]-2-(2-methyl-1H-1,3-benzodiazol-1-yl)acetohydrazide

K089-0001 Screening compound: N'-[(E)-{3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl}methylidene]-2-(2-methyl-1H-1,3-benzodiazol-1-yl)acetohydrazide
K089-0001 Screening compound: N'-[(E)-{3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl}methylidene]-2-(2-methyl-1H-1,3-benzodiazol-1-yl)acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound K089-0001
N'-[(E)-{3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl}methylidene]-2-(2-methyl-1H-1,3-benzodiazol-1-yl)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

K089-0001

Molecular Formula

C25H22F2N4O3 (C25 H22 F2 N4 O3)

Compound Name

N'-[(E)-{3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl}methylidene]-2-(2-methyl-1H-1,3-benzodiazol-1-yl)acetohydrazide

IUPAC name

N'-[(E)-{3-[(24-difluorophenoxy)methyl]-4-methoxyphenyl}methylidene]-2-(2-methyl-1H-13-benzodiazol-1-yl)acetohydrazide

SMILES

Cc1nc(cccc2)c2n1CC(N/N=C/c(cc1)cc(COc(ccc(F)c2)c2F)c1OC)=O

InChI

InChI=1S/C25H22F2N4O3/c1-16-29-21-5-3-4-6-22(21)31(16)14-25(32)30-28-13-17-7-9-23(33-2)18(11-17)15-34-24-10-8-19(26)12-20(24)27/h3-13H,14-15H2,1-2H3,(H,30,32)

InChI Key

XBPAKSABZREXBJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01535460

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.253

Distribution Coefficient, logD

4.246

Water Solubility, LogSw

-4.40

Polar Surface Area

61.263

Acid Dissociation Constant (pKa)

10.84

Base Dissociation Constant (pKb)

5.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

K089-0001 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K089-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K089-0001?
Check Price and Availability of K089-0001, 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 K089-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K089-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K089-0001
  • 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 K089-0001 available by request