E854-5177 Screening compound: 2-[3,4-dimethyl-2-(4-methylphenyl)-7-oxo-2H,6H,7H-pyrazolo[3,4-d]pyridazin-6-yl]-N-(3-fluorophenyl)butanamide

E854-5177 Screening compound: 2-[3,4-dimethyl-2-(4-methylphenyl)-7-oxo-2H,6H,7H-pyrazolo[3,4-d]pyridazin-6-yl]-N-(3-fluorophenyl)butanamide
E854-5177 Screening compound: 2-[3,4-dimethyl-2-(4-methylphenyl)-7-oxo-2H,6H,7H-pyrazolo[3,4-d]pyridazin-6-yl]-N-(3-fluorophenyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E854-5177
2-[3,4-dimethyl-2-(4-methylphenyl)-7-oxo-2H,6H,7H-pyrazolo[3,4-d]pyridazin-6-yl]-N-(3-fluorophenyl)butanamide

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

E854-5177

Molecular Formula

C24H24FN5O2 (C24 H24 FN5 O2)

Compound Name

2-[3,4-dimethyl-2-(4-methylphenyl)-7-oxo-2H,6H,7H-pyrazolo[3,4-d]pyridazin-6-yl]-N-(3-fluorophenyl)butanamide

IUPAC name

2-[34-dimethyl-2-(4-methylphenyl)-7-oxo-2H6H7H-pyrazolo[34-d]pyridazin-6-yl]-N-(3-fluorophenyl)butanamide

SMILES

CCC(C(Nc1cccc(F)c1)=O)N1N=C(C)c2c(C)n(-c3ccc(C)cc3)nc2C1=O

InChI

InChI=1S/C24H24FN5O2/c1-5-20(23(31)26-18-8-6-7-17(25)13-18)30-24(32)22-21(15(3)27-30)16(4)29(28-22)19-11-9-14(2)10-12-19/h6-13,20H,5H2,1-4H3,(H,26,31)/t20-/m0/s1

InChI Key

LBUFOPDUAMLQMC-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14923137

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.508

Distribution Coefficient, logD

4.508

Water Solubility, LogSw

-4.37

Polar Surface Area

62.823

Acid Dissociation Constant (pKa)

10.78

Base Dissociation Constant (pKb)

-0.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

E854-5177 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with E854-5177 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E854-5177?
Check Price and Availability of E854-5177, 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 E854-5177 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E854-5177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E854-5177
  • 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 E854-5177 available by request