E591-0698 Screening compound: 3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-[(4-fluorophenyl)methyl]propanamide

E591-0698 Screening compound: 3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-[(4-fluorophenyl)methyl]propanamide
E591-0698 Screening compound: 3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-[(4-fluorophenyl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E591-0698
3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-[(4-fluorophenyl)methyl]propanamide

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

E591-0698

Molecular Formula

C19H23FN6O (C19 H23 FN6 O)

Compound Name

3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-[(4-fluorophenyl)methyl]propanamide

IUPAC name

3-[6-(diethylamino)-[124]triazolo[43-b]pyridazin-3-yl]-N-[(4-fluorophenyl)methyl]propanamide

SMILES

CCN(CC)c(cc1)nn2c1nnc2CCC(NCc(cc1)ccc1F)=O

InChI

InChI=1S/C19H23FN6O/c1-3-25(4-2)18-10-9-16-22-23-17(26(16)24-18)11-12-19(27)21-13-14-5-7-15(20)8-6-14/h5-10H,3-4,11-13H2,1-2H3,(H,21,27)

InChI Key

WJRSQVXNPVTJDI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14901571

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.895

Distribution Coefficient, logD

1.895

Water Solubility, LogSw

-2.28

Polar Surface Area

60.044

Acid Dissociation Constant (pKa)

12.58

Base Dissociation Constant (pKb)

2.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

E591-0698 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E591-0698 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E591-0698?
Check Price and Availability of E591-0698, 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 E591-0698 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E591-0698
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E591-0698
  • 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 E591-0698 available by request