3958-4306 Screening compound: (5Z)-5-{[2,5-dimethyl-1-(pyridin-3-yl)-1H-pyrrol-3-yl]methylidene}imidazolidine-2,4-dione

3958-4306 Screening compound: (5Z)-5-{[2,5-dimethyl-1-(pyridin-3-yl)-1H-pyrrol-3-yl]methylidene}imidazolidine-2,4-dione
3958-4306 Screening compound: (5Z)-5-{[2,5-dimethyl-1-(pyridin-3-yl)-1H-pyrrol-3-yl]methylidene}imidazolidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3958-4306
(5Z)-5-{[2,5-dimethyl-1-(pyridin-3-yl)-1H-pyrrol-3-yl]methylidene}imidazolidine-2,4-dione

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

3958-4306

Molecular Formula

C15H14N4O2 (C15 H14 N4 O2)

Compound Name

(5Z)-5-{[2,5-dimethyl-1-(pyridin-3-yl)-1H-pyrrol-3-yl]methylidene}imidazolidine-2,4-dione

IUPAC name

(5Z)-5-{[25-dimethyl-1-(pyridin-3-yl)-1H-pyrrol-3-yl]methylidene}imidazolidine-24-dione

SMILES

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

InChI

InChI=1S/C15H14N4O2/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

WTDRTWDLEWGWSV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02379593

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

282.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.826

Distribution Coefficient, logD

0.824

Water Solubility, LogSw

-1.37

Polar Surface Area

61.494

Acid Dissociation Constant (pKa)

10.27

Base Dissociation Constant (pKb)

4.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

3958-4306 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Human Kinases Annotated Library (2415 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 3958-4306 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3958-4306?
Check Price and Availability of 3958-4306, 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 3958-4306 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3958-4306
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3958-4306
  • 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 3958-4306 available by request