C466-0119 Screening compound: 2-(3,4-dichlorophenyl)-3-[4-(trifluoromethyl)phenyl]-hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one

C466-0119 Screening compound: 2-(3,4-dichlorophenyl)-3-[4-(trifluoromethyl)phenyl]-hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
C466-0119 Screening compound: 2-(3,4-dichlorophenyl)-3-[4-(trifluoromethyl)phenyl]-hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C466-0119
2-(3,4-dichlorophenyl)-3-[4-(trifluoromethyl)phenyl]-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

C466-0119

Molecular Formula

C19H15Cl2F3N2O (C19 H15 Cl2 F3 N2 O)

Compound Name

2-(3,4-dichlorophenyl)-3-[4-(trifluoromethyl)phenyl]-hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one

IUPAC name

(3R7aS)-2-(34-dichlorophenyl)-3-[4-(trifluoromethyl)phenyl]-hexahydro-1H-pyrrolo[12-c]imidazol-1-one

SMILES

O=C([C@@H](CCC1)N1[C@@H]1c2ccc(C(F)(F)F)cc2)N1c(cc1)cc(Cl)c1Cl

InChI

InChI=1S/C19H15Cl2F3N2O/c20-14-8-7-13(10-15(14)21)26-17(25-9-1-2-16(25)18(26)27)11-3-5-12(6-4-11)19(22,23)24/h3-8,10,16-17H,1-2,9H2/t16-,17-/m0/s1

InChI Key

SBSPNYIJCQTSKL-IRXDYDNUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.24

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.276

Distribution Coefficient, logD

4.937

Water Solubility, LogSw

-6.18

Polar Surface Area

19.181

Acid Dissociation Constant (pKa)

12.01

Base Dissociation Constant (pKb)

7.47

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.60

C466-0119 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 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
Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Nervous system
  • Cancer
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C466-0119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C466-0119?
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What is the minimum amount of C466-0119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C466-0119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C466-0119
  • 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 C466-0119 available by request