E852-1084 Screening compound: 5,6-dimethyl-N6-(3-methylbutyl)-4-oxo-N2-[2-(pyrrolidin-1-yl)ethyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

E852-1084 Screening compound: 5,6-dimethyl-N6-(3-methylbutyl)-4-oxo-N2-[2-(pyrrolidin-1-yl)ethyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
E852-1084 Screening compound: 5,6-dimethyl-N6-(3-methylbutyl)-4-oxo-N2-[2-(pyrrolidin-1-yl)ethyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E852-1084
5,6-dimethyl-N6-(3-methylbutyl)-4-oxo-N2-[2-(pyrrolidin-1-yl)ethyl]-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

E852-1084

Molecular Formula

C21H34N6O3 (C21 H34 N6 O3)

Compound Name

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

IUPAC name

56-dimethyl-N6-(3-methylbutyl)-4-oxo-N2-[2-(pyrrolidin-1-yl)ethyl]-4H5H6H7H-pyrazolo[15-a]pyrazine-26-dicarboxamide

SMILES

CC(C)CCNC(C(C)(Cn(c1c2)nc2C(NCCN2CCCC2)=O)N(C)C1=O)=O

InChI

InChI=1S/C21H34N6O3/c1-15(2)7-8-23-20(30)21(3)14-27-17(19(29)25(21)4)13-16(24-27)18(28)22-9-12-26-10-5-6-11-26/h13,15H,5-12,14H2,1-4H3,(H,22,28)(H,23,30)/t21-/m0/s1

InChI Key

ADNFHGWZRPZNNX-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14922061

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.813

Distribution Coefficient, logD

-0.923

Water Solubility, LogSw

-1.61

Polar Surface Area

82.499

Acid Dissociation Constant (pKa)

12.24

Base Dissociation Constant (pKb)

9.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

71.40

E852-1084 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

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

Cyclic Ugi PPI Library (9586 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E852-1084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E852-1084?
Check Price and Availability of E852-1084, 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 E852-1084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E852-1084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E852-1084
  • 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 E852-1084 available by request