4361-1286 Screening compound: 2-(2-{[(4E)-2,5-dioxoimidazolidin-4-ylidene]methyl}phenoxy)-N-(4-fluorophenyl)acetamide

4361-1286 Screening compound: 2-(2-{[(4E)-2,5-dioxoimidazolidin-4-ylidene]methyl}phenoxy)-N-(4-fluorophenyl)acetamide
4361-1286 Screening compound: 2-(2-{[(4E)-2,5-dioxoimidazolidin-4-ylidene]methyl}phenoxy)-N-(4-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4361-1286
2-(2-{[(4E)-2,5-dioxoimidazolidin-4-ylidene]methyl}phenoxy)-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

4361-1286

Molecular Formula

C18H14FN3O4 (C18 H14 FN3 O4)

Compound Name

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

IUPAC name

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

SMILES

O=C(COc1c(/C=C(\C(N2)=O)/NC2=O)cccc1)Nc(cc1)ccc1F

InChI

InChI=1S/C18H14FN3O4/c19-12-5-7-13(8-6-12)20-16(23)10-26-15-4-2-1-3-11(15)9-14-17(24)22-18(25)21-14/h1-9H,10H2,(H,20,23)(H2,21,22,24,25)

InChI Key

NFANZIKEJYUCLM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03143022

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.327

Distribution Coefficient, logD

2.326

Water Solubility, LogSw

-3.13

Polar Surface Area

79.775

Acid Dissociation Constant (pKa)

9.99

Base Dissociation Constant (pKb)

2.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

4361-1286 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4361-1286 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4361-1286?
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What is the minimum amount of 4361-1286 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4361-1286
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4361-1286
  • 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 4361-1286 available by request