Y010-1677 Screening compound: 1-(4-fluorophenethyl)-5-[(Z)-1-(2-thienyl)methylidene]-2,4,6(1H,3H)-pyrimidinetrione

Y010-1677 Screening compound: 1-(4-fluorophenethyl)-5-[(Z)-1-(2-thienyl)methylidene]-2,4,6(1H,3H)-pyrimidinetrione
Y010-1677 Screening compound: 1-(4-fluorophenethyl)-5-[(Z)-1-(2-thienyl)methylidene]-2,4,6(1H,3H)-pyrimidinetrione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y010-1677
1-(4-fluorophenethyl)-5-[(Z)-1-(2-thienyl)methylidene]-2,4,6(1H,3H)-pyrimidinetrione

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

Y010-1677

Molecular Formula

C17H13FN2O3S (C17 H13 FN2 O3 S)

Compound Name

1-(4-fluorophenethyl)-5-[(Z)-1-(2-thienyl)methylidene]-2,4,6(1H,3H)-pyrimidinetrione

IUPAC name

(5Z)-1-[2-(4-fluorophenyl)ethyl]-5-[(thiophen-2-yl)methylidene]-13-diazinane-246-trione

SMILES

O=C(/C(/C(N1CCc(cc2)ccc2F)=O)=C/c2cccs2)NC1=O

InChI

InChI=1S/C17H13FN2O3S/c18-12-5-3-11(4-6-12)7-8-20-16(22)14(15(21)19-17(20)23)10-13-2-1-9-24-13/h1-6,9-10H,7-8H2,(H,19,21,23)

InChI Key

UHFQJVBFNDHGCA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02924274

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.630

Distribution Coefficient, logD

2.362

Water Solubility, LogSw

-3.04

Polar Surface Area

54.999

Acid Dissociation Constant (pKa)

7.47

Base Dissociation Constant (pKb)

-7.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.76

Y010-1677 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 Receptors Annotated Library (5376 compounds)

Human Transcription Factors Annotated Library (5098 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 Y010-1677 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y010-1677?
Check Price and Availability of Y010-1677, 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 Y010-1677 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y010-1677
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y010-1677
  • 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 Y010-1677 available by request