E854-5159 Screening compound: N-[(2-chlorophenyl)methyl]-2-[3,4-dimethyl-2-(4-methylphenyl)-7-oxo-2H,6H,7H-pyrazolo[3,4-d]pyridazin-6-yl]butanamide

E854-5159 Screening compound: N-[(2-chlorophenyl)methyl]-2-[3,4-dimethyl-2-(4-methylphenyl)-7-oxo-2H,6H,7H-pyrazolo[3,4-d]pyridazin-6-yl]butanamide
E854-5159 Screening compound: N-[(2-chlorophenyl)methyl]-2-[3,4-dimethyl-2-(4-methylphenyl)-7-oxo-2H,6H,7H-pyrazolo[3,4-d]pyridazin-6-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E854-5159
N-[(2-chlorophenyl)methyl]-2-[3,4-dimethyl-2-(4-methylphenyl)-7-oxo-2H,6H,7H-pyrazolo[3,4-d]pyridazin-6-yl]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

E854-5159

Molecular Formula

C25H26ClN5O2 (C25 H26 ClN5 O2)

Compound Name

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

IUPAC name

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

SMILES

CCC(C(NCc(cccc1)c1Cl)=O)N1N=C(C)c2c(C)n(-c3ccc(C)cc3)nc2C1=O

InChI

InChI=1S/C25H26ClN5O2/c1-5-21(24(32)27-14-18-8-6-7-9-20(18)26)31-25(33)23-22(16(3)28-31)17(4)30(29-23)19-12-10-15(2)11-13-19/h6-13,21H,5,14H2,1-4H3,(H,27,32)/t21-/m0/s1

InChI Key

AKRCEJILPRMLHU-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14923129

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.97

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.737

Distribution Coefficient, logD

4.737

Water Solubility, LogSw

-4.95

Polar Surface Area

64.145

Acid Dissociation Constant (pKa)

13.15

Base Dissociation Constant (pKb)

-0.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

E854-5159 in Drug Discovery

Included in Screening Libraries

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 E854-5159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E854-5159?
Check Price and Availability of E854-5159, 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 E854-5159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E854-5159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E854-5159
  • 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 E854-5159 available by request