E223-1180 Screening compound: 5-[2-(cyclohex-1-en-1-yl)ethyl]-N-cyclopentyl-6-methyl-4-oxo-2-(thiophen-2-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

E223-1180 Screening compound: 5-[2-(cyclohex-1-en-1-yl)ethyl]-N-cyclopentyl-6-methyl-4-oxo-2-(thiophen-2-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
E223-1180 Screening compound: 5-[2-(cyclohex-1-en-1-yl)ethyl]-N-cyclopentyl-6-methyl-4-oxo-2-(thiophen-2-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E223-1180
5-[2-(cyclohex-1-en-1-yl)ethyl]-N-cyclopentyl-6-methyl-4-oxo-2-(thiophen-2-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

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

E223-1180

Molecular Formula

C25H32N4O2S (C25 H32 N4 O2 S)

Compound Name

5-[2-(cyclohex-1-en-1-yl)ethyl]-N-cyclopentyl-6-methyl-4-oxo-2-(thiophen-2-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

IUPAC name

5-[2-(cyclohex-1-en-1-yl)ethyl]-N-cyclopentyl-6-methyl-4-oxo-2-(thiophen-2-yl)-4H5H6H7H-pyrazolo[15-a]pyrazine-6-carboxamide

SMILES

CC(Cn(c1c2)nc2-c2cccs2)(C(NC2CCCC2)=O)N(CCC2=CCCCC2)C1=O

InChI

InChI=1S/C25H32N4O2S/c1-25(24(31)26-19-10-5-6-11-19)17-29-21(16-20(27-29)22-12-7-15-32-22)23(30)28(25)14-13-18-8-3-2-4-9-18/h7-8,12,15-16,19H,2-6,9-11,13-14,17H2,1H3,(H,26,31)/t25-/m0/s1

InChI Key

ACZKMDMBLRNUAJ-VWLOTQADSA-N

MDL Number (MFCD)

MFCD27598172

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.62

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.736

Distribution Coefficient, logD

4.736

Water Solubility, LogSw

-4.40

Polar Surface Area

54.754

Acid Dissociation Constant (pKa)

15.47

Base Dissociation Constant (pKb)

1.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.00

E223-1180 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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)

Nonpeptide Peptidomimetics PPI Library (18997 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
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with E223-1180 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E223-1180?
Check Price and Availability of E223-1180, 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 E223-1180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E223-1180
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E223-1180
  • 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 E223-1180 available by request