E853-2539 Screening compound: ethyl 6-{[(2-methoxyphenyl)methyl]carbamoyl}-6-methyl-5-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxylate

E853-2539 Screening compound: ethyl 6-{[(2-methoxyphenyl)methyl]carbamoyl}-6-methyl-5-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
E853-2539 Screening compound: ethyl 6-{[(2-methoxyphenyl)methyl]carbamoyl}-6-methyl-5-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E853-2539
ethyl 6-{[(2-methoxyphenyl)methyl]carbamoyl}-6-methyl-5-{2-[4-(methylsulfanyl)phenyl]ethyl}-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

E853-2539

Molecular Formula

C28H32N4O5S (C28 H32 N4 O5 S)

Compound Name

ethyl 6-{[(2-methoxyphenyl)methyl]carbamoyl}-6-methyl-5-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxylate

IUPAC name

ethyl 6-{[(2-methoxyphenyl)methyl]carbamoyl}-6-methyl-5-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-oxo-4H5H6H7H-pyrazolo[15-a]pyrazine-2-carboxylate

SMILES

CCOC(c1nn(CC(C)(C(NCc(cccc2)c2OC)=O)N(CCc(cc2)ccc2SC)C2=O)c2c1)=O

InChI

InChI=1S/C28H32N4O5S/c1-5-37-26(34)22-16-23-25(33)31(15-14-19-10-12-21(38-4)13-11-19)28(2,18-32(23)30-22)27(35)29-17-20-8-6-7-9-24(20)36-3/h6-13,16H,5,14-15,17-18H2,1-4H3,(H,29,35)/t28-/m0/s1

InChI Key

BQULQCVGSSDVTO-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD14922567

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

536.65

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.179

Distribution Coefficient, logD

4.179

Water Solubility, LogSw

-4.16

Polar Surface Area

82.107

Acid Dissociation Constant (pKa)

12.33

Base Dissociation Constant (pKb)

-0.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.70

E853-2539 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 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 E853-2539 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E853-2539?
Check Price and Availability of E853-2539, 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 E853-2539 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E853-2539
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E853-2539
  • 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 E853-2539 available by request