E591-0470 Screening compound: 1-[4-(2-fluorophenyl)piperazino]-3-[6-(4-methylpiperazino)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-propanone

E591-0470 Screening compound: 1-[4-(2-fluorophenyl)piperazino]-3-[6-(4-methylpiperazino)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-propanone
E591-0470 Screening compound: 1-[4-(2-fluorophenyl)piperazino]-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 E591-0470
1-[4-(2-fluorophenyl)piperazino]-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

E591-0470

Molecular Formula

C23H29FN8O (C23 H29 FN8 O)

Compound Name

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

IUPAC name

1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[6-(4-methylpiperazin-1-yl)-[124]triazolo[43-b]pyridazin-3-yl]propan-1-one

SMILES

CN(CC1)CCN1c(cc1)nn2c1nnc2CCC(N(CC1)CCN1c(cccc1)c1F)=O

InChI

InChI=1S/C23H29FN8O/c1-28-10-12-30(13-11-28)22-7-6-20-25-26-21(32(20)27-22)8-9-23(33)31-16-14-29(15-17-31)19-5-3-2-4-18(19)24/h2-7H,8-17H2,1H3

InChI Key

UVUBXZGEDGWXPG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14901513

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.363

Distribution Coefficient, logD

0.792

Water Solubility, LogSw

-1.69

Polar Surface Area

59.118

Acid Dissociation Constant (pKa)

23.46

Base Dissociation Constant (pKb)

7.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.83

E591-0470 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E591-0470 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E591-0470?
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What is the minimum amount of E591-0470 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E591-0470
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E591-0470
  • 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 E591-0470 available by request