E591-0376 Screening compound: N-({1-[(4-fluorophenyl)methyl]piperidin-4-yl}methyl)-3-[6-(pyrrolidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide

E591-0376 Screening compound: N-({1-[(4-fluorophenyl)methyl]piperidin-4-yl}methyl)-3-[6-(pyrrolidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
E591-0376 Screening compound: N-({1-[(4-fluorophenyl)methyl]piperidin-4-yl}methyl)-3-[6-(pyrrolidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E591-0376
N-({1-[(4-fluorophenyl)methyl]piperidin-4-yl}methyl)-3-[6-(pyrrolidin-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

E591-0376

Molecular Formula

C25H32FN7O (C25 H32 FN7 O)

Compound Name

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

IUPAC name

N-({1-[(4-fluorophenyl)methyl]piperidin-4-yl}methyl)-3-[6-(pyrrolidin-1-yl)-[124]triazolo[43-b]pyridazin-3-yl]propanamide

SMILES

O=C(CCc1nnc(cc2)n1nc2N1CCCC1)NCC1CCN(Cc(cc2)ccc2F)CC1

InChI

InChI=1S/C25H32FN7O/c26-21-5-3-20(4-6-21)18-31-15-11-19(12-16-31)17-27-25(34)10-9-23-29-28-22-7-8-24(30-33(22)23)32-13-1-2-14-32/h3-8,19H,1-2,9-18H2,(H,27,34)

InChI Key

JZLZBKWRSMGZMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14901463

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.260

Distribution Coefficient, logD

0.471

Water Solubility, LogSw

-2.62

Polar Surface Area

64.859

Acid Dissociation Constant (pKa)

14.59

Base Dissociation Constant (pKb)

9.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.00

E591-0376 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E591-0376 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E591-0376?
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What is the minimum amount of E591-0376 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E591-0376
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E591-0376
  • 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 E591-0376 available by request