3669-1588 Screening compound: (5E)-1-(4-fluorophenyl)-5-[(thiophen-3-yl)methylidene]-1,3-diazinane-2,4,6-trione

3669-1588 Screening compound: (5E)-1-(4-fluorophenyl)-5-[(thiophen-3-yl)methylidene]-1,3-diazinane-2,4,6-trione
3669-1588 Screening compound: (5E)-1-(4-fluorophenyl)-5-[(thiophen-3-yl)methylidene]-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3669-1588
(5E)-1-(4-fluorophenyl)-5-[(thiophen-3-yl)methylidene]-1,3-diazinane-2,4,6-trione

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

3669-1588

Molecular Formula

C15H9FN2O3S (C15 H9 FN2 O3 S)

Compound Name

(5E)-1-(4-fluorophenyl)-5-[(thiophen-3-yl)methylidene]-1,3-diazinane-2,4,6-trione

IUPAC name

(5E)-1-(4-fluorophenyl)-5-[(thiophen-3-yl)methylidene]-13-diazinane-246-trione

SMILES

O=C(/C(/C(N1c(cc2)ccc2F)=O)=C\c2cscc2)NC1=O

InChI

InChI=1S/C15H9FN2O3S/c16-10-1-3-11(4-2-10)18-14(20)12(13(19)17-15(18)21)7-9-5-6-22-8-9/h1-8H,(H,17,19,21)

InChI Key

FDYWTOBELSNMRB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02624066

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.134

Distribution Coefficient, logD

1.820

Water Solubility, LogSw

-2.87

Polar Surface Area

54.409

Acid Dissociation Constant (pKa)

7.37

Base Dissociation Constant (pKb)

-6.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

3669-1588 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Human Kinases Annotated Library (2415 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3669-1588 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3669-1588?
Check Price and Availability of 3669-1588, 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 3669-1588 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3669-1588
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3669-1588
  • 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 3669-1588 available by request