E852-0965 Screening compound: N2-cyclopentyl-5,6-dimethyl-N6-(3-methylbutyl)-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

E852-0965 Screening compound: N2-cyclopentyl-5,6-dimethyl-N6-(3-methylbutyl)-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
E852-0965 Screening compound: N2-cyclopentyl-5,6-dimethyl-N6-(3-methylbutyl)-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E852-0965
N2-cyclopentyl-5,6-dimethyl-N6-(3-methylbutyl)-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

E852-0965

Molecular Formula

C20H31N5O3 (C20 H31 N5 O3)

Compound Name

N2-cyclopentyl-5,6-dimethyl-N6-(3-methylbutyl)-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

IUPAC name

N2-cyclopentyl-56-dimethyl-N6-(3-methylbutyl)-4-oxo-4H5H6H7H-pyrazolo[15-a]pyrazine-26-dicarboxamide

SMILES

CC(C)CCNC(C(C)(Cn(c1c2)nc2C(NC2CCCC2)=O)N(C)C1=O)=O

InChI

InChI=1S/C20H31N5O3/c1-13(2)9-10-21-19(28)20(3)12-25-16(18(27)24(20)4)11-15(23-25)17(26)22-14-7-5-6-8-14/h11,13-14H,5-10,12H2,1-4H3,(H,21,28)(H,22,26)/t20-/m0/s1

InChI Key

RLMBXPXDEYJYAE-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD27602341

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.5

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

1.831

Distribution Coefficient, logD

1.831

Water Solubility, LogSw

-2.22

Polar Surface Area

78.400

Acid Dissociation Constant (pKa)

13.52

Base Dissociation Constant (pKb)

1.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

70.00

E852-0965 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Cyclic Ugi PPI Library (9586 compounds)

GPCR Targeted Library (31838 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
  • Mimetics
  • Mimetics
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with E852-0965 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E852-0965?
Check Price and Availability of E852-0965, 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 E852-0965 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E852-0965
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E852-0965
  • 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 E852-0965 available by request