K089-0002 Screening compound: N'-[(E)-{4-methoxy-3-[(morpholin-4-yl)methyl]phenyl}methylidene]-2-(2-methyl-1H-1,3-benzodiazol-1-yl)acetohydrazide

K089-0002 Screening compound: N'-[(E)-{4-methoxy-3-[(morpholin-4-yl)methyl]phenyl}methylidene]-2-(2-methyl-1H-1,3-benzodiazol-1-yl)acetohydrazide
K089-0002 Screening compound: N'-[(E)-{4-methoxy-3-[(morpholin-4-yl)methyl]phenyl}methylidene]-2-(2-methyl-1H-1,3-benzodiazol-1-yl)acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound K089-0002
N'-[(E)-{4-methoxy-3-[(morpholin-4-yl)methyl]phenyl}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

K089-0002

Molecular Formula

C23H27N5O3 (C23 H27 N5 O3)

Compound Name

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

IUPAC name

N'-[(E)-{4-methoxy-3-[(morpholin-4-yl)methyl]phenyl}methylidene]-2-(2-methyl-1H-13-benzodiazol-1-yl)acetohydrazide

SMILES

Cc1nc(cccc2)c2n1CC(N/N=C/c(cc1)cc(CN2CCOCC2)c1OC)=O

InChI

InChI=1S/C23H27N5O3/c1-17-25-20-5-3-4-6-21(20)28(17)16-23(29)26-24-14-18-7-8-22(30-2)19(13-18)15-27-9-11-31-12-10-27/h3-8,13-14H,9-12,15-16H2,1-2H3,(H,26,29)

InChI Key

QAQYWSDDBOUZOS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01535461

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.260

Distribution Coefficient, logD

2.245

Water Solubility, LogSw

-2.84

Polar Surface Area

65.590

Acid Dissociation Constant (pKa)

10.84

Base Dissociation Constant (pKb)

5.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

K089-0002 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

KRAS-Targeted Library (16000 compounds)

PI3K-Targeted Library (17255 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with K089-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K089-0002?
Check Price and Availability of K089-0002, 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 K089-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K089-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K089-0002
  • 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 K089-0002 available by request