4449-2495 Screening compound: 2-(4-{[(4E)-2,5-dioxoimidazolidin-4-ylidene]methyl}-2-methoxyphenoxy)-N-(4-fluorophenyl)acetamide

4449-2495 Screening compound: 2-(4-{[(4E)-2,5-dioxoimidazolidin-4-ylidene]methyl}-2-methoxyphenoxy)-N-(4-fluorophenyl)acetamide
4449-2495 Screening compound: 2-(4-{[(4E)-2,5-dioxoimidazolidin-4-ylidene]methyl}-2-methoxyphenoxy)-N-(4-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4449-2495
2-(4-{[(4E)-2,5-dioxoimidazolidin-4-ylidene]methyl}-2-methoxyphenoxy)-N-(4-fluorophenyl)acetamide

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

4449-2495

Molecular Formula

C19H16FN3O5 (C19 H16 FN3 O5)

Compound Name

2-(4-{[(4E)-2,5-dioxoimidazolidin-4-ylidene]methyl}-2-methoxyphenoxy)-N-(4-fluorophenyl)acetamide

IUPAC name

2-(4-{[(4E)-25-dioxoimidazolidin-4-ylidene]methyl}-2-methoxyphenoxy)-N-(4-fluorophenyl)acetamide

SMILES

COc(cc(/C=C(\C(N1)=O)/NC1=O)cc1)c1OCC(Nc(cc1)ccc1F)=O

InChI

InChI=1S/C19H16FN3O5/c1-27-16-9-11(8-14-18(25)23-19(26)22-14)2-7-15(16)28-10-17(24)21-13-5-3-12(20)4-6-13/h2-9H,10H2,1H3,(H,21,24)(H2,22,23,25,26)

InChI Key

XBGIQUNPTHDNJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03142849

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.677

Distribution Coefficient, logD

1.675

Water Solubility, LogSw

-2.18

Polar Surface Area

87.405

Acid Dissociation Constant (pKa)

9.68

Base Dissociation Constant (pKb)

-4.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

4449-2495 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 4449-2495 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4449-2495?
Check Price and Availability of 4449-2495, 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 4449-2495 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4449-2495
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4449-2495
  • 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 4449-2495 available by request