4361-2257 Screening compound: (5E)-5-{[3-bromo-5-ethoxy-4-(prop-2-yn-1-yloxy)phenyl]methylidene}imidazolidine-2,4-dione

4361-2257 Screening compound: (5E)-5-{[3-bromo-5-ethoxy-4-(prop-2-yn-1-yloxy)phenyl]methylidene}imidazolidine-2,4-dione
4361-2257 Screening compound: (5E)-5-{[3-bromo-5-ethoxy-4-(prop-2-yn-1-yloxy)phenyl]methylidene}imidazolidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4361-2257
(5E)-5-{[3-bromo-5-ethoxy-4-(prop-2-yn-1-yloxy)phenyl]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

4361-2257

Molecular Formula

C15H13BrN2O4 (C15 H13 BrN2 O4)

Compound Name

(5E)-5-{[3-bromo-5-ethoxy-4-(prop-2-yn-1-yloxy)phenyl]methylidene}imidazolidine-2,4-dione

IUPAC name

(5E)-5-{[3-bromo-5-ethoxy-4-(prop-2-yn-1-yloxy)phenyl]methylidene}imidazolidine-24-dione

SMILES

CCOc1cc(/C=C(\C(N2)=O)/NC2=O)cc(Br)c1OCC#C

InChI

InChI=1S/C15H13BrN2O4/c1-3-5-22-13-10(16)6-9(8-12(13)21-4-2)7-11-14(19)18-15(20)17-11/h1,6-8H,4-5H2,2H3,(H2,17,18,19,20)

InChI Key

XFJHMHIECXCRRR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03142907

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.18

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.092

Distribution Coefficient, logD

2.085

Water Solubility, LogSw

-2.79

Polar Surface Area

64.113

Acid Dissociation Constant (pKa)

9.19

Base Dissociation Constant (pKb)

-5.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

4361-2257 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 4361-2257 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4361-2257?
Check Price and Availability of 4361-2257, 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 4361-2257 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4361-2257
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4361-2257
  • 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 4361-2257 available by request