4482-4046 Screening compound: (5E)-5-{[2,5-dimethyl-1-(pyridin-3-yl)-1H-pyrrol-3-yl]methylidene}-2-sulfanylideneimidazolidin-4-one

4482-4046 Screening compound: (5E)-5-{[2,5-dimethyl-1-(pyridin-3-yl)-1H-pyrrol-3-yl]methylidene}-2-sulfanylideneimidazolidin-4-one
4482-4046 Screening compound: (5E)-5-{[2,5-dimethyl-1-(pyridin-3-yl)-1H-pyrrol-3-yl]methylidene}-2-sulfanylideneimidazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4482-4046
(5E)-5-{[2,5-dimethyl-1-(pyridin-3-yl)-1H-pyrrol-3-yl]methylidene}-2-sulfanylideneimidazolidin-4-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

4482-4046

Molecular Formula

C15H14N4OS (C15 H14 N4 OS)

Compound Name

(5E)-5-{[2,5-dimethyl-1-(pyridin-3-yl)-1H-pyrrol-3-yl]methylidene}-2-sulfanylideneimidazolidin-4-one

IUPAC name

(5E)-5-{[25-dimethyl-1-(pyridin-3-yl)-1H-pyrrol-3-yl]methylidene}-2-sulfanylideneimidazolidin-4-one

SMILES

Cc1cc(/C=C(\C(N2)=O)/NC2=S)c(C)n1-c1cnccc1

InChI

InChI=1S/C15H14N4OS/c1-9-6-11(7-13-14(20)18-15(21)17-13)10(2)19(9)12-4-3-5-16-8-12/h3-8H,1-2H3,(H2,17,18,20,21)

InChI Key

ZDCUOFZHNVJESK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02220267

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.494

Distribution Coefficient, logD

1.488

Water Solubility, LogSw

-1.83

Polar Surface Area

48.477

Acid Dissociation Constant (pKa)

9.30

Base Dissociation Constant (pKb)

4.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

4482-4046 in Drug Discovery

Included in Screening Libraries

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4482-4046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4482-4046?
Check Price and Availability of 4482-4046, 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 4482-4046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4482-4046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4482-4046
  • 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 4482-4046 available by request