C466-0452 Screening compound: 2-(4-chlorophenyl)-3-(4-fluorophenyl)-hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one

C466-0452 Screening compound: 2-(4-chlorophenyl)-3-(4-fluorophenyl)-hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
C466-0452 Screening compound: 2-(4-chlorophenyl)-3-(4-fluorophenyl)-hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C466-0452
2-(4-chlorophenyl)-3-(4-fluorophenyl)-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

C466-0452

Molecular Formula

C18H16ClFN2O (C18 H16 ClFN2 O)

Compound Name

2-(4-chlorophenyl)-3-(4-fluorophenyl)-hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one

IUPAC name

(3R7aS)-2-(4-chlorophenyl)-3-(4-fluorophenyl)-hexahydro-1H-pyrrolo[12-c]imidazol-1-one

SMILES

O=C([C@@H](CCC1)N1[C@@H]1c(cc2)ccc2F)N1c(cc1)ccc1Cl

InChI

InChI=1S/C18H16ClFN2O/c19-13-5-9-15(10-6-13)22-17(12-3-7-14(20)8-4-12)21-11-1-2-16(21)18(22)23/h3-10,16-17H,1-2,11H2/t16-,17-/m0/s1

InChI Key

CYSJUEJYTFLDSD-IRXDYDNUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.79

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.673

Distribution Coefficient, logD

3.500

Water Solubility, LogSw

-4.35

Polar Surface Area

19.181

Acid Dissociation Constant (pKa)

12.40

Base Dissociation Constant (pKb)

7.09

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

27.80

C466-0452 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

Anti-Aging Library (44940 compounds)

Antiviral Annotated Library (21441 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 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
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with C466-0452 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C466-0452?
Check Price and Availability of C466-0452, 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 C466-0452 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C466-0452
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C466-0452
  • 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 C466-0452 available by request