S554-0707 Screening compound: (2E)-3-(3-methoxyphenyl)-N-{[6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}prop-2-enamide

S554-0707 Screening compound: (2E)-3-(3-methoxyphenyl)-N-{[6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}prop-2-enamide
S554-0707 Screening compound: (2E)-3-(3-methoxyphenyl)-N-{[6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S554-0707
(2E)-3-(3-methoxyphenyl)-N-{[6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}prop-2-enamide

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

S554-0707

Molecular Formula

C23H21N5O3 (C23 H21 N5 O3)

Compound Name

(2E)-3-(3-methoxyphenyl)-N-{[6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}prop-2-enamide

IUPAC name

(2E)-3-(3-methoxyphenyl)-N-{[6-(4-methoxyphenyl)-[124]triazolo[43-b]pyridazin-3-yl]methyl}prop-2-enamide

SMILES

COc(cc1)ccc1-c(cc1)nn2c1nnc2CNC(/C=C/c1cc(OC)ccc1)=O

InChI

InChI=1S/C23H21N5O3/c1-30-18-9-7-17(8-10-18)20-11-12-21-25-26-22(28(21)27-20)15-24-23(29)13-6-16-4-3-5-19(14-16)31-2/h3-14H,15H2,1-2H3,(H,24,29)

InChI Key

MBNXQIHJLDHKIR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29011088

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.45

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

3.386

Distribution Coefficient, logD

3.386

Water Solubility, LogSw

-3.72

Polar Surface Area

72.661

Acid Dissociation Constant (pKa)

13.27

Base Dissociation Constant (pKb)

0.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

S554-0707 in Drug Discovery

Included in Screening Libraries

Aurora A-B Kinases Targeted Library (9426 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with S554-0707 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S554-0707?
Check Price and Availability of S554-0707, 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 S554-0707 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S554-0707
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S554-0707
  • 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 S554-0707 available by request