C466-0097 Screening compound: 2-(4-METHOXYPHENYL)-3-(THIOPHEN-2-YL)-HEXAHYDRO-1H-PYRROLO[1,2-C]IMIDAZOL-1-ONE

C466-0097 Screening compound: 2-(4-METHOXYPHENYL)-3-(THIOPHEN-2-YL)-HEXAHYDRO-1H-PYRROLO[1,2-C]IMIDAZOL-1-ONE
C466-0097 Screening compound: 2-(4-METHOXYPHENYL)-3-(THIOPHEN-2-YL)-HEXAHYDRO-1H-PYRROLO[1,2-C]IMIDAZOL-1-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound C466-0097
2-(4-METHOXYPHENYL)-3-(THIOPHEN-2-YL)-HEXAHYDRO-1H-PYRROLO[1,2-C]IMIDAZOL-1-ONE

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

C466-0097

Molecular Formula

C17H18N2O2S (C17 H18 N2 O2 S)

Compound Name

2-(4-METHOXYPHENYL)-3-(THIOPHEN-2-YL)-HEXAHYDRO-1H-PYRROLO[1,2-C]IMIDAZOL-1-ONE

IUPAC name

n/a

SMILES

COc(cc1)ccc1N([C@@H](c1cccs1)N1[C@@H]2CCC1)C2=O

InChI

InChI=1S/C17H18N2O2S/c1-21-13-8-6-12(7-9-13)19-16(15-5-3-11-22-15)18-10-2-4-14(18)17(19)20/h3,5-9,11,14,16H,2,4,10H2,1H3/t14-,16-/m0/s1

InChI Key

WSGCITCDIYWVOQ-HOCLYGCPSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.625

Distribution Coefficient, logD

2.619

Water Solubility, LogSw

-2.81

Polar Surface Area

27.743

Acid Dissociation Constant (pKa)

12.79

Base Dissociation Constant (pKb)

5.57

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.30

C466-0097 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

Anti-Aging Library (44940 compounds)

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Soluble Diversity Library (15920 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C466-0097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C466-0097?
Check Price and Availability of C466-0097, 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 C466-0097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C466-0097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C466-0097
  • 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 C466-0097 available by request