E854-6555 Screening compound: 6-[4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutyl]-3,4-dimethyl-2-(4-methylphenyl)-2H,6H,7H-pyrazolo[3,4-d]pyridazin-7-one

E854-6555 Screening compound: 6-[4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutyl]-3,4-dimethyl-2-(4-methylphenyl)-2H,6H,7H-pyrazolo[3,4-d]pyridazin-7-one
E854-6555 Screening compound: 6-[4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutyl]-3,4-dimethyl-2-(4-methylphenyl)-2H,6H,7H-pyrazolo[3,4-d]pyridazin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E854-6555
6-[4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutyl]-3,4-dimethyl-2-(4-methylphenyl)-2H,6H,7H-pyrazolo[3,4-d]pyridazin-7-one

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

E854-6555

Molecular Formula

C26H27N5O2 (C26 H27 N5 O2)

Compound Name

6-[4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutyl]-3,4-dimethyl-2-(4-methylphenyl)-2H,6H,7H-pyrazolo[3,4-d]pyridazin-7-one

IUPAC name

6-[4-(23-dihydro-1H-indol-1-yl)-4-oxobutyl]-34-dimethyl-2-(4-methylphenyl)-2H6H7H-pyrazolo[34-d]pyridazin-7-one

SMILES

Cc(n(-c1ccc(C)cc1)nc12)c2C(C)=NN(CCCC(N(CC2)c3c2cccc3)=O)C1=O

InChI

InChI=1S/C26H27N5O2/c1-17-10-12-21(13-11-17)31-19(3)24-18(2)27-30(26(33)25(24)28-31)15-6-9-23(32)29-16-14-20-7-4-5-8-22(20)29/h4-5,7-8,10-13H,6,9,14-16H2,1-3H3

InChI Key

MUOBECZBCYRPCZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14923219

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.659

Distribution Coefficient, logD

3.659

Water Solubility, LogSw

-4.02

Polar Surface Area

56.744

Acid Dissociation Constant (pKa)

22.61

Base Dissociation Constant (pKb)

4.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

E854-6555 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E854-6555 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E854-6555?
Check Price and Availability of E854-6555, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E854-6555 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E854-6555
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E854-6555
  • 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 E854-6555 available by request