E852-5595 Screening compound: N2-[(2,5-dimethylphenyl)methyl]-N6-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

E852-5595 Screening compound: N2-[(2,5-dimethylphenyl)methyl]-N6-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
E852-5595 Screening compound: N2-[(2,5-dimethylphenyl)methyl]-N6-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E852-5595
N2-[(2,5-dimethylphenyl)methyl]-N6-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

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

E852-5595

Molecular Formula

C26H28FN5O3 (C26 H28 FN5 O3)

Compound Name

N2-[(2,5-dimethylphenyl)methyl]-N6-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

IUPAC name

N2-[(25-dimethylphenyl)methyl]-N6-[(4-fluorophenyl)methyl]-56-dimethyl-4-oxo-4H5H6H7H-pyrazolo[15-a]pyrazine-26-dicarboxamide

SMILES

CC(Cn(c1c2)nc2C(NCc2c(C)ccc(C)c2)=O)(C(NCc(cc2)ccc2F)=O)N(C)C1=O

InChI

InChI=1S/C26H28FN5O3/c1-16-5-6-17(2)19(11-16)14-28-23(33)21-12-22-24(34)31(4)26(3,15-32(22)30-21)25(35)29-13-18-7-9-20(27)10-8-18/h5-12H,13-15H2,1-4H3,(H,28,33)(H,29,35)/t26-/m0/s1

InChI Key

WBXREIJCDQPGEW-SANMLTNESA-N

MDL Number (MFCD)

MFCD14922396

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.316

Distribution Coefficient, logD

3.316

Water Solubility, LogSw

-3.33

Polar Surface Area

78.196

Acid Dissociation Constant (pKa)

10.75

Base Dissociation Constant (pKb)

-1.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

E852-5595 in Drug Discovery

Included in Screening Libraries

Cyclic Ugi PPI Library (9586 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E852-5595 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E852-5595?
Check Price and Availability of E852-5595, 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 E852-5595 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E852-5595
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E852-5595
  • 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 E852-5595 available by request