4555-0589 Screening compound: 5-(5-methylfuran-2-yl)-3-(prop-2-en-1-yl)-2-sulfanylidene-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-4-one

4555-0589 Screening compound: 5-(5-methylfuran-2-yl)-3-(prop-2-en-1-yl)-2-sulfanylidene-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-4-one
4555-0589 Screening compound: 5-(5-methylfuran-2-yl)-3-(prop-2-en-1-yl)-2-sulfanylidene-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4555-0589
5-(5-methylfuran-2-yl)-3-(prop-2-en-1-yl)-2-sulfanylidene-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-4-one

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

4555-0589

Molecular Formula

C14H12N2O2S2 (C14 H12 N2 O2 S2)

Compound Name

5-(5-methylfuran-2-yl)-3-(prop-2-en-1-yl)-2-sulfanylidene-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-4-one

IUPAC name

5-(5-methylfuran-2-yl)-3-(prop-2-en-1-yl)-2-sulfanylidene-1H2H3H4H-thieno[23-d]pyrimidin-4-one

SMILES

Cc1ccc(-c2csc(NC(N3CC=C)=S)c2C3=O)o1

InChI

InChI=1S/C14H12N2O2S2/c1-3-6-16-13(17)11-9(10-5-4-8(2)18-10)7-20-12(11)15-14(16)19/h3-5,7H,1,6H2,2H3,(H,15,19)

InChI Key

POCJUFFRQYOWGM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03618917

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.181

Distribution Coefficient, logD

3.180

Water Solubility, LogSw

-3.48

Polar Surface Area

35.291

Acid Dissociation Constant (pKa)

10.73

Base Dissociation Constant (pKb)

-13.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

4555-0589 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 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 4555-0589 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4555-0589?
Check Price and Availability of 4555-0589, 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 4555-0589 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4555-0589
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4555-0589
  • 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 4555-0589 available by request