K784-7654 Screening compound: 2-(3,5-dimethylphenyl)-3-sulfanylidene-hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one

K784-7654 Screening compound: 2-(3,5-dimethylphenyl)-3-sulfanylidene-hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
K784-7654 Screening compound: 2-(3,5-dimethylphenyl)-3-sulfanylidene-hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-7654
2-(3,5-dimethylphenyl)-3-sulfanylidene-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

K784-7654

Molecular Formula

C14H16N2OS (C14 H16 N2 OS)

Compound Name

2-(3,5-dimethylphenyl)-3-sulfanylidene-hexahydro-1H-pyrrolo[1,2-c]imidazol-1-one

IUPAC name

2-(35-dimethylphenyl)-3-sulfanylidene-hexahydro-1H-pyrrolo[12-c]imidazol-1-one

SMILES

Cc1cc(N(C(C2N3CCC2)=O)C3=S)cc(C)c1

InChI

InChI=1S/C14H16N2OS/c1-9-6-10(2)8-11(7-9)16-13(17)12-4-3-5-15(12)14(16)18/h6-8,12H,3-5H2,1-2H3/t12-/m1/s1

InChI Key

VINSAOHYIRMJGW-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD03451875

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

260.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.210

Distribution Coefficient, logD

2.210

Water Solubility, LogSw

-2.21

Polar Surface Area

19.404

Acid Dissociation Constant (pKa)

14.62

Base Dissociation Constant (pKb)

-6.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

K784-7654 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Dark Chemical Matter Library (18430 compounds)

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Structure:
  • Pool

References: we are preparing a list of scientific research reports with K784-7654 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-7654?
Check Price and Availability of K784-7654, 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 K784-7654 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-7654
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-7654
  • 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 K784-7654 available by request