E854-0093 Screening compound: 2-{3,4-dimethyl-7-oxo-2-phenyl-2H,6H,7H-pyrazolo[3,4-d]pyridazin-6-yl}-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

E854-0093 Screening compound: 2-{3,4-dimethyl-7-oxo-2-phenyl-2H,6H,7H-pyrazolo[3,4-d]pyridazin-6-yl}-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
E854-0093 Screening compound: 2-{3,4-dimethyl-7-oxo-2-phenyl-2H,6H,7H-pyrazolo[3,4-d]pyridazin-6-yl}-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E854-0093
2-{3,4-dimethyl-7-oxo-2-phenyl-2H,6H,7H-pyrazolo[3,4-d]pyridazin-6-yl}-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

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

E854-0093

Molecular Formula

C22H26N6O3 (C22 H26 N6 O3)

Compound Name

2-{3,4-dimethyl-7-oxo-2-phenyl-2H,6H,7H-pyrazolo[3,4-d]pyridazin-6-yl}-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

IUPAC name

2-{34-dimethyl-7-oxo-2-phenyl-2H6H7H-pyrazolo[34-d]pyridazin-6-yl}-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

SMILES

Cc(n(-c1ccccc1)nc12)c2C(C)=NN(CC(NCCCN(CCC2)C2=O)=O)C1=O

InChI

InChI=1S/C22H26N6O3/c1-15-20-16(2)28(17-8-4-3-5-9-17)25-21(20)22(31)27(24-15)14-18(29)23-11-7-13-26-12-6-10-19(26)30/h3-5,8-9H,6-7,10-14H2,1-2H3,(H,23,29)

InChI Key

JJLFNPPPBOWQOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14922691

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.107

Distribution Coefficient, logD

0.107

Water Solubility, LogSw

-1.84

Polar Surface Area

83.167

Acid Dissociation Constant (pKa)

16.11

Base Dissociation Constant (pKb)

0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

E854-0093 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 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 E854-0093 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E854-0093?
Check Price and Availability of E854-0093, 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 E854-0093 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E854-0093
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E854-0093
  • 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 E854-0093 available by request