4449-2427 Screening compound: (5E)-5-({2-[(4-nitrophenyl)methoxy]phenyl}methylidene)imidazolidine-2,4-dione

4449-2427 Screening compound: (5E)-5-({2-[(4-nitrophenyl)methoxy]phenyl}methylidene)imidazolidine-2,4-dione
4449-2427 Screening compound: (5E)-5-({2-[(4-nitrophenyl)methoxy]phenyl}methylidene)imidazolidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4449-2427
(5E)-5-({2-[(4-nitrophenyl)methoxy]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

4449-2427

Molecular Formula

C17H13N3O5 (C17 H13 N3 O5)

Compound Name

(5E)-5-({2-[(4-nitrophenyl)methoxy]phenyl}methylidene)imidazolidine-2,4-dione

IUPAC name

(5E)-5-({2-[(4-nitrophenyl)methoxy]phenyl}methylidene)imidazolidine-24-dione

SMILES

[O-][N+](c1ccc(COc2c(/C=C(\C(N3)=O)/NC3=O)cccc2)cc1)=O

InChI

InChI=1S/C17H13N3O5/c21-16-14(18-17(22)19-16)9-12-3-1-2-4-15(12)25-10-11-5-7-13(8-6-11)20(23)24/h1-9H,10H2,(H2,18,19,21,22)

InChI Key

XKASYDYGZMTTPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03142666

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.31

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.773

Distribution Coefficient, logD

2.772

Water Solubility, LogSw

-3.43

Polar Surface Area

90.007

Acid Dissociation Constant (pKa)

9.99

Base Dissociation Constant (pKb)

2.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

4449-2427 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 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 4449-2427 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4449-2427?
Check Price and Availability of 4449-2427, 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 4449-2427 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4449-2427
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4449-2427
  • 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 4449-2427 available by request