E560-0048 Screening compound: 2-fluoro-N-[2-(6-{[3-(propan-2-yloxy)propyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzamide

E560-0048 Screening compound: 2-fluoro-N-[2-(6-{[3-(propan-2-yloxy)propyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzamide
E560-0048 Screening compound: 2-fluoro-N-[2-(6-{[3-(propan-2-yloxy)propyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E560-0048
2-fluoro-N-[2-(6-{[3-(propan-2-yloxy)propyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzamide

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

E560-0048

Molecular Formula

C20H25FN6O2 (C20 H25 FN6 O2)

Compound Name

2-fluoro-N-[2-(6-{[3-(propan-2-yloxy)propyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzamide

IUPAC name

2-fluoro-N-[2-(6-{[3-(propan-2-yloxy)propyl]amino}-[124]triazolo[43-b]pyridazin-3-yl)ethyl]benzamide

SMILES

CC(C)OCCCNc(cc1)nn2c1nnc2CCNC(c(cccc1)c1F)=O

InChI

InChI=1S/C20H25FN6O2/c1-14(2)29-13-5-11-22-17-8-9-18-24-25-19(27(18)26-17)10-12-23-20(28)15-6-3-4-7-16(15)21/h3-4,6-9,14H,5,10-13H2,1-2H3,(H,22,26)(H,23,28)

InChI Key

VNBWVELVQOBSQV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05961626

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.778

Distribution Coefficient, logD

1.778

Water Solubility, LogSw

-2.50

Polar Surface Area

76.015

Acid Dissociation Constant (pKa)

12.47

Base Dissociation Constant (pKb)

1.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

E560-0048 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E560-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E560-0048?
Check Price and Availability of E560-0048, 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 E560-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E560-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E560-0048
  • 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 E560-0048 available by request