E854-0245 Screening compound: 6-[2-(azepan-1-yl)-2-oxoethyl]-3,4-dimethyl-2-phenyl-2H,6H,7H-pyrazolo[3,4-d]pyridazin-7-one

E854-0245 Screening compound: 6-[2-(azepan-1-yl)-2-oxoethyl]-3,4-dimethyl-2-phenyl-2H,6H,7H-pyrazolo[3,4-d]pyridazin-7-one
E854-0245 Screening compound: 6-[2-(azepan-1-yl)-2-oxoethyl]-3,4-dimethyl-2-phenyl-2H,6H,7H-pyrazolo[3,4-d]pyridazin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E854-0245
6-[2-(azepan-1-yl)-2-oxoethyl]-3,4-dimethyl-2-phenyl-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

E854-0245

Molecular Formula

C21H25N5O2 (C21 H25 N5 O2)

Compound Name

6-[2-(azepan-1-yl)-2-oxoethyl]-3,4-dimethyl-2-phenyl-2H,6H,7H-pyrazolo[3,4-d]pyridazin-7-one

IUPAC name

6-[2-(azepan-1-yl)-2-oxoethyl]-34-dimethyl-2-phenyl-2H6H7H-pyrazolo[34-d]pyridazin-7-one

SMILES

Cc(n(-c1ccccc1)nc12)c2C(C)=NN(CC(N2CCCCCC2)=O)C1=O

InChI

InChI=1S/C21H25N5O2/c1-15-19-16(2)26(17-10-6-5-7-11-17)23-20(19)21(28)25(22-15)14-18(27)24-12-8-3-4-9-13-24/h5-7,10-11H,3-4,8-9,12-14H2,1-2H3

InChI Key

HSEKTCQFZNORNP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14922740

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.310

Distribution Coefficient, logD

2.310

Water Solubility, LogSw

-2.46

Polar Surface Area

58.066

Acid Dissociation Constant (pKa)

18.22

Base Dissociation Constant (pKb)

1.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

E854-0245 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with E854-0245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E854-0245?
Check Price and Availability of E854-0245, 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 E854-0245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E854-0245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E854-0245
  • 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 E854-0245 available by request