E591-0060 Screening compound: N-[(2-methoxyphenyl)methyl]-3-{6-[4-(3-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl}propanamide

E591-0060 Screening compound: N-[(2-methoxyphenyl)methyl]-3-{6-[4-(3-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl}propanamide
E591-0060 Screening compound: N-[(2-methoxyphenyl)methyl]-3-{6-[4-(3-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E591-0060
N-[(2-methoxyphenyl)methyl]-3-{6-[4-(3-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl}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

E591-0060

Molecular Formula

C27H31N7O3 (C27 H31 N7 O3)

Compound Name

N-[(2-methoxyphenyl)methyl]-3-{6-[4-(3-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl}propanamide

IUPAC name

N-[(2-methoxyphenyl)methyl]-3-{6-[4-(3-methoxyphenyl)piperazin-1-yl]-[124]triazolo[43-b]pyridazin-3-yl}propanamide

SMILES

COc1cccc(N(CC2)CCN2c(cc2)nn3c2nnc3CCC(NCc(cccc2)c2OC)=O)c1

InChI

InChI=1S/C27H31N7O3/c1-36-22-8-5-7-21(18-22)32-14-16-33(17-15-32)26-11-10-24-29-30-25(34(24)31-26)12-13-27(35)28-19-20-6-3-4-9-23(20)37-2/h3-11,18H,12-17,19H2,1-2H3,(H,28,35)

InChI Key

RJDUQYQGHBWDLR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14901261

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.103

Distribution Coefficient, logD

3.103

Water Solubility, LogSw

-3.38

Polar Surface Area

79.195

Acid Dissociation Constant (pKa)

13.00

Base Dissociation Constant (pKb)

3.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with E591-0060 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E591-0060?
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What is the minimum amount of E591-0060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E591-0060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E591-0060
  • 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 E591-0060 available by request