E591-0431 Screening compound: 1-(4-methylpiperazino)-3-[6-(4-methylpiperazino)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-propanone

E591-0431 Screening compound: 1-(4-methylpiperazino)-3-[6-(4-methylpiperazino)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-propanone
E591-0431 Screening compound: 1-(4-methylpiperazino)-3-[6-(4-methylpiperazino)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound E591-0431
1-(4-methylpiperazino)-3-[6-(4-methylpiperazino)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-propanone

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

E591-0431

Molecular Formula

C18H28N8O (C18 H28 N8 O)

Compound Name

1-(4-methylpiperazino)-3-[6-(4-methylpiperazino)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-propanone

IUPAC name

1-(4-methylpiperazin-1-yl)-3-[6-(4-methylpiperazin-1-yl)-[124]triazolo[43-b]pyridazin-3-yl]propan-1-one

SMILES

CN(CC1)CCN1C(CCc1nnc(cc2)n1nc2N1CCN(C)CC1)=O

InChI

InChI=1S/C18H28N8O/c1-22-7-11-24(12-8-22)17-4-3-15-19-20-16(26(15)21-17)5-6-18(27)25-13-9-23(2)10-14-25/h3-4H,5-14H2,1-2H3

InChI Key

PJOGPADPFPWHOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14901492

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.633

Distribution Coefficient, logD

-1.204

Water Solubility, LogSw

-1.20

Polar Surface Area

59.635

Acid Dissociation Constant (pKa)

23.46

Base Dissociation Constant (pKb)

7.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.67

E591-0431 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-infective Library (19449 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Immunological Library (6760 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with E591-0431 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E591-0431?
Check Price and Availability of E591-0431, 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 E591-0431 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E591-0431
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E591-0431
  • 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 E591-0431 available by request