C466-0344 Screening compound: 3-(2-methoxyphenyl)-2-(1,3-thiazol-2-yl)-hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one

C466-0344 Screening compound: 3-(2-methoxyphenyl)-2-(1,3-thiazol-2-yl)-hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
C466-0344 Screening compound: 3-(2-methoxyphenyl)-2-(1,3-thiazol-2-yl)-hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C466-0344
3-(2-methoxyphenyl)-2-(1,3-thiazol-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

C466-0344

Molecular Formula

C16H17N3O2S (C16 H17 N3 O2 S)

Compound Name

3-(2-methoxyphenyl)-2-(1,3-thiazol-2-yl)-hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one

IUPAC name

(3R7aS)-3-(2-methoxyphenyl)-2-(13-thiazol-2-yl)-hexahydro-1H-pyrrolo[12-c]imidazol-1-one

SMILES

COc1c([C@@H](N(CCC2)[C@H]2C2=O)N2c2nccs2)cccc1

InChI

InChI=1S/C16H17N3O2S/c1-21-13-7-3-2-5-11(13)14-18-9-4-6-12(18)15(20)19(14)16-17-8-10-22-16/h2-3,5,7-8,10,12,14H,4,6,9H2,1H3/t12-,14-/m0/s1

InChI Key

GKIUJNVOHHOKBV-JSGCOSHPSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.425

Distribution Coefficient, logD

1.623

Water Solubility, LogSw

-2.54

Polar Surface Area

37.064

Acid Dissociation Constant (pKa)

14.42

Base Dissociation Constant (pKb)

8.13

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.50

C466-0344 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)

Ion Channels Focused Library (26372 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:
  • Nervous system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Nervous system
  • Cardiovascular
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with C466-0344 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C466-0344?
Check Price and Availability of C466-0344, 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 C466-0344 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C466-0344
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C466-0344
  • 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 C466-0344 available by request