4361-0581 Screening compound: (5E)-5-({1-[(2-fluorophenyl)methyl]-1H-indol-3-yl}methylidene)imidazolidine-2,4-dione

4361-0581 Screening compound: (5E)-5-({1-[(2-fluorophenyl)methyl]-1H-indol-3-yl}methylidene)imidazolidine-2,4-dione
4361-0581 Screening compound: (5E)-5-({1-[(2-fluorophenyl)methyl]-1H-indol-3-yl}methylidene)imidazolidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4361-0581
(5E)-5-({1-[(2-fluorophenyl)methyl]-1H-indol-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

4361-0581

Molecular Formula

C19H14FN3O2 (C19 H14 FN3 O2)

Compound Name

(5E)-5-({1-[(2-fluorophenyl)methyl]-1H-indol-3-yl}methylidene)imidazolidine-2,4-dione

IUPAC name

(5E)-5-({1-[(2-fluorophenyl)methyl]-1H-indol-3-yl}methylidene)imidazolidine-24-dione

SMILES

O=C(/C(/N1)=C\c2cn(Cc(cccc3)c3F)c3c2cccc3)NC1=O

InChI

InChI=1S/C19H14FN3O2/c20-15-7-3-1-5-12(15)10-23-11-13(14-6-2-4-8-17(14)23)9-16-18(24)22-19(25)21-16/h1-9,11H,10H2,(H2,21,22,24,25)

InChI Key

QLTLNJZPGUSDQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03142598

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.001

Distribution Coefficient, logD

2.995

Water Solubility, LogSw

-3.17

Polar Surface Area

51.043

Acid Dissociation Constant (pKa)

9.25

Base Dissociation Constant (pKb)

1.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

4361-0581 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Human Ion Channels Annotated Library (353 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 4361-0581 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4361-0581?
Check Price and Availability of 4361-0581, 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 4361-0581 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4361-0581
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4361-0581
  • 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 4361-0581 available by request