E853-0111 Screening compound: methyl 6-(cyclopentylcarbamoyl)-5-[2-(4-ethoxyphenyl)ethyl]-6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxylate

E853-0111 Screening compound: methyl 6-(cyclopentylcarbamoyl)-5-[2-(4-ethoxyphenyl)ethyl]-6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
E853-0111 Screening compound: methyl 6-(cyclopentylcarbamoyl)-5-[2-(4-ethoxyphenyl)ethyl]-6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E853-0111
methyl 6-(cyclopentylcarbamoyl)-5-[2-(4-ethoxyphenyl)ethyl]-6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxylate

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

E853-0111

Molecular Formula

C25H32N4O5 (C25 H32 N4 O5)

Compound Name

methyl 6-(cyclopentylcarbamoyl)-5-[2-(4-ethoxyphenyl)ethyl]-6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxylate

IUPAC name

methyl 6-(cyclopentylcarbamoyl)-5-[2-(4-ethoxyphenyl)ethyl]-6-methyl-4-oxo-4H5H6H7H-pyrazolo[15-a]pyrazine-2-carboxylate

SMILES

CCOc1ccc(CCN(C(C)(Cn(c2c3)nc3C(OC)=O)C(NC3CCCC3)=O)C2=O)cc1

InChI

InChI=1S/C25H32N4O5/c1-4-34-19-11-9-17(10-12-19)13-14-28-22(30)21-15-20(23(31)33-3)27-29(21)16-25(28,2)24(32)26-18-7-5-6-8-18/h9-12,15,18H,4-8,13-14,16H2,1-3H3,(H,26,32)/t25-/m0/s1

InChI Key

UPIPLDVPJYRUDP-VWLOTQADSA-N

MDL Number (MFCD)

MFCD14922398

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.056

Distribution Coefficient, logD

3.056

Water Solubility, LogSw

-3.23

Polar Surface Area

82.112

Acid Dissociation Constant (pKa)

15.47

Base Dissociation Constant (pKb)

3.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.00

E853-0111 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Cyclic Ugi PPI Library (9586 compounds)

GPCR Targeted Library (31838 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds
Targets:
  • GPCR
  • Kinases

References: we are preparing a list of scientific research reports with E853-0111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E853-0111?
Check Price and Availability of E853-0111, 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 E853-0111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E853-0111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E853-0111
  • 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 E853-0111 available by request