E853-2996 Screening compound: ethyl 5-(3-fluorophenyl)-6-[(2-methoxyethyl)carbamoyl]-6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxylate

E853-2996 Screening compound: ethyl 5-(3-fluorophenyl)-6-[(2-methoxyethyl)carbamoyl]-6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
E853-2996 Screening compound: ethyl 5-(3-fluorophenyl)-6-[(2-methoxyethyl)carbamoyl]-6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E853-2996
ethyl 5-(3-fluorophenyl)-6-[(2-methoxyethyl)carbamoyl]-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

E853-2996

Molecular Formula

C20H23FN4O5 (C20 H23 FN4 O5)

Compound Name

ethyl 5-(3-fluorophenyl)-6-[(2-methoxyethyl)carbamoyl]-6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxylate

IUPAC name

ethyl 5-(3-fluorophenyl)-6-[(2-methoxyethyl)carbamoyl]-6-methyl-4-oxo-4H5H6H7H-pyrazolo[15-a]pyrazine-2-carboxylate

SMILES

CCOC(c1nn(CC(C)(C(NCCOC)=O)N(c2cccc(F)c2)C2=O)c2c1)=O

InChI

InChI=1S/C20H23FN4O5/c1-4-30-18(27)15-11-16-17(26)25(14-7-5-6-13(21)10-14)20(2,12-24(16)23-15)19(28)22-8-9-29-3/h5-7,10-11H,4,8-9,12H2,1-3H3,(H,22,28)/t20-/m0/s1

InChI Key

CUISSGLWUVCFDK-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14922594

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.242

Distribution Coefficient, logD

1.242

Water Solubility, LogSw

-2.21

Polar Surface Area

82.343

Acid Dissociation Constant (pKa)

13.74

Base Dissociation Constant (pKb)

-0.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

E853-2996 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with E853-2996 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E853-2996?
Check Price and Availability of E853-2996, 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 E853-2996 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E853-2996
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E853-2996
  • 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 E853-2996 available by request