E591-0719 Screening compound: 3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(3,4-difluorophenyl)propanamide

E591-0719 Screening compound: 3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(3,4-difluorophenyl)propanamide
E591-0719 Screening compound: 3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(3,4-difluorophenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E591-0719
3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(3,4-difluorophenyl)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

E591-0719

Molecular Formula

C18H20F2N6O (C18 H20 F2 N6 O)

Compound Name

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

IUPAC name

3-[6-(diethylamino)-[124]triazolo[43-b]pyridazin-3-yl]-N-(34-difluorophenyl)propanamide

SMILES

CCN(CC)c(cc1)nn2c1nnc2CCC(Nc(cc1)cc(F)c1F)=O

InChI

InChI=1S/C18H20F2N6O/c1-3-25(4-2)17-8-7-15-22-23-16(26(15)24-17)9-10-18(27)21-12-5-6-13(19)14(20)11-12/h5-8,11H,3-4,9-10H2,1-2H3,(H,21,27)

InChI Key

OQCXLOMUVUOUOS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14901582

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.523

Distribution Coefficient, logD

2.507

Water Solubility, LogSw

-2.98

Polar Surface Area

58.722

Acid Dissociation Constant (pKa)

8.84

Base Dissociation Constant (pKb)

2.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

E591-0719 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with E591-0719 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E591-0719?
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What is the minimum amount of E591-0719 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E591-0719
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E591-0719
  • 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 E591-0719 available by request