E591-0041 Screening compound: 3-{6-[4-(3-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl}-N-(propan-2-yl)propanamide

E591-0041 Screening compound: 3-{6-[4-(3-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl}-N-(propan-2-yl)propanamide
E591-0041 Screening compound: 3-{6-[4-(3-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl}-N-(propan-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E591-0041
3-{6-[4-(3-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl}-N-(propan-2-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

E591-0041

Molecular Formula

C22H29N7O2 (C22 H29 N7 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)NC(CCc1nnc(cc2)n1nc2N(CC1)CCN1c1cc(OC)ccc1)=O

InChI

InChI=1S/C22H29N7O2/c1-16(2)23-22(30)10-9-20-25-24-19-7-8-21(26-29(19)20)28-13-11-27(12-14-28)17-5-4-6-18(15-17)31-3/h4-8,15-16H,9-14H2,1-3H3,(H,23,30)

InChI Key

MHNUJSJKQAQJNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14901248

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.090

Distribution Coefficient, logD

2.090

Water Solubility, LogSw

-2.81

Polar Surface Area

70.811

Acid Dissociation Constant (pKa)

15.34

Base Dissociation Constant (pKb)

3.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

References: we are preparing a list of scientific research reports with E591-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E591-0041?
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What is the minimum amount of E591-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E591-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E591-0041
  • 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 E591-0041 available by request