E854-0296 Screening compound: 2-{3,4-dimethyl-7-oxo-2-phenyl-2H,6H,7H-pyrazolo[3,4-d]pyridazin-6-yl}-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide

E854-0296 Screening compound: 2-{3,4-dimethyl-7-oxo-2-phenyl-2H,6H,7H-pyrazolo[3,4-d]pyridazin-6-yl}-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide
E854-0296 Screening compound: 2-{3,4-dimethyl-7-oxo-2-phenyl-2H,6H,7H-pyrazolo[3,4-d]pyridazin-6-yl}-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E854-0296
2-{3,4-dimethyl-7-oxo-2-phenyl-2H,6H,7H-pyrazolo[3,4-d]pyridazin-6-yl}-N-{[4-(methylsulfanyl)phenyl]methyl}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

E854-0296

Molecular Formula

C23H23N5O2S (C23 H23 N5 O2 S)

Compound Name

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

IUPAC name

2-{34-dimethyl-7-oxo-2-phenyl-2H6H7H-pyrazolo[34-d]pyridazin-6-yl}-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide

SMILES

Cc(n(-c1ccccc1)nc12)c2C(C)=NN(CC(NCc(cc2)ccc2SC)=O)C1=O

InChI

InChI=1S/C23H23N5O2S/c1-15-21-16(2)28(18-7-5-4-6-8-18)26-22(21)23(30)27(25-15)14-20(29)24-13-17-9-11-19(31-3)12-10-17/h4-12H,13-14H2,1-3H3,(H,24,29)

InChI Key

TYRYMBXTIATGKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14922756

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.161

Distribution Coefficient, logD

3.161

Water Solubility, LogSw

-3.31

Polar Surface Area

65.814

Acid Dissociation Constant (pKa)

13.60

Base Dissociation Constant (pKb)

-0.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

E854-0296 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with E854-0296 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E854-0296?
Check Price and Availability of E854-0296, 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 E854-0296 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E854-0296
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E854-0296
  • 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 E854-0296 available by request