E859-1229 Screening compound: N-[2-(furan-2-yl)ethyl]-1-[2-(4-methoxyphenyl)-3,4-dimethyl-2H-pyrazolo[3,4-d]pyridazin-7-yl]piperidine-3-carboxamide

E859-1229 Screening compound: N-[2-(furan-2-yl)ethyl]-1-[2-(4-methoxyphenyl)-3,4-dimethyl-2H-pyrazolo[3,4-d]pyridazin-7-yl]piperidine-3-carboxamide
E859-1229 Screening compound: N-[2-(furan-2-yl)ethyl]-1-[2-(4-methoxyphenyl)-3,4-dimethyl-2H-pyrazolo[3,4-d]pyridazin-7-yl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E859-1229
N-[2-(furan-2-yl)ethyl]-1-[2-(4-methoxyphenyl)-3,4-dimethyl-2H-pyrazolo[3,4-d]pyridazin-7-yl]piperidine-3-carboxamide

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

E859-1229

Molecular Formula

C26H30N6O3 (C26 H30 N6 O3)

Compound Name

N-[2-(furan-2-yl)ethyl]-1-[2-(4-methoxyphenyl)-3,4-dimethyl-2H-pyrazolo[3,4-d]pyridazin-7-yl]piperidine-3-carboxamide

IUPAC name

N-[2-(furan-2-yl)ethyl]-1-[2-(4-methoxyphenyl)-34-dimethyl-2H-pyrazolo[34-d]pyridazin-7-yl]piperidine-3-carboxamide

SMILES

Cc(n(-c(cc1)ccc1OC)nc12)c2c(C)nnc1N(CCC1)CC1C(NCCc1ccco1)=O

InChI

InChI=1S/C26H30N6O3/c1-17-23-18(2)32(20-8-10-21(34-3)11-9-20)30-24(23)25(29-28-17)31-14-4-6-19(16-31)26(33)27-13-12-22-7-5-15-35-22/h5,7-11,15,19H,4,6,12-14,16H2,1-3H3,(H,27,33)/t19-/m0/s1

InChI Key

LZYIQASAIVXAID-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14923856

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.853

Distribution Coefficient, logD

2.835

Water Solubility, LogSw

-3.40

Polar Surface Area

79.751

Acid Dissociation Constant (pKa)

13.86

Base Dissociation Constant (pKb)

6.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

E859-1229 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with E859-1229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E859-1229?
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What is the minimum amount of E859-1229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E859-1229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E859-1229
  • 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 E859-1229 available by request