C466-0463 Screening compound: 2-(4-CHLOROPHENYL)-3-(2-ETHOXYPHENYL)-HEXAHYDRO-1H-PYRROLO[1,2-C]IMIDAZOL-1-ONE

C466-0463 Screening compound: 2-(4-CHLOROPHENYL)-3-(2-ETHOXYPHENYL)-HEXAHYDRO-1H-PYRROLO[1,2-C]IMIDAZOL-1-ONE
C466-0463 Screening compound: 2-(4-CHLOROPHENYL)-3-(2-ETHOXYPHENYL)-HEXAHYDRO-1H-PYRROLO[1,2-C]IMIDAZOL-1-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound C466-0463
2-(4-CHLOROPHENYL)-3-(2-ETHOXYPHENYL)-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

C466-0463

Molecular Formula

C20H21ClN2O2 (C20 H21 ClN2 O2)

Compound Name

2-(4-CHLOROPHENYL)-3-(2-ETHOXYPHENYL)-HEXAHYDRO-1H-PYRROLO[1,2-C]IMIDAZOL-1-ONE

IUPAC name

n/a

SMILES

CCOc1c([C@@H](N(CCC2)[C@H]2C2=O)N2c(cc2)ccc2Cl)cccc1

InChI

InChI=1S/C20H21ClN2O2/c1-2-25-18-8-4-3-6-16(18)19-22-13-5-7-17(22)20(24)23(19)15-11-9-14(21)10-12-15/h3-4,6,8-12,17,19H,2,5,7,13H2,1H3/t17-,19-/m0/s1

InChI Key

PMPQABVTMXXCGE-HKUYNNGSSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.85

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.155

Distribution Coefficient, logD

3.268

Water Solubility, LogSw

-4.44

Polar Surface Area

26.391

Acid Dissociation Constant (pKa)

12.40

Base Dissociation Constant (pKb)

8.23

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.00

C466-0463 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Epigenetics Focused Set (26518 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Structure:
  • Mimetics
  • 3D
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Digestive system
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with C466-0463 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C466-0463?
Check Price and Availability of C466-0463, 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 C466-0463 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C466-0463
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C466-0463
  • 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 C466-0463 available by request