7189-0558 Screening compound: 5-[(4-methylphenoxy)methyl]-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]furan-2-carboxamide

7189-0558 Screening compound: 5-[(4-methylphenoxy)methyl]-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]furan-2-carboxamide
7189-0558 Screening compound: 5-[(4-methylphenoxy)methyl]-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7189-0558
5-[(4-methylphenoxy)methyl]-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]furan-2-carboxamide

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

7189-0558

Molecular Formula

C18H17N3O4S (C18 H17 N3 O4 S)

Compound Name

5-[(4-methylphenoxy)methyl]-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]furan-2-carboxamide

IUPAC name

5-[(4-methylphenoxy)methyl]-N-[3-(2-oxopropyl)-124-thiadiazol-5-yl]furan-2-carboxamide

SMILES

CC(Cc1nsc(NC(c2ccc(COc3ccc(C)cc3)o2)=O)n1)=O

InChI

InChI=1S/C18H17N3O4S/c1-11-3-5-13(6-4-11)24-10-14-7-8-15(25-14)17(23)20-18-19-16(21-26-18)9-12(2)22/h3-8H,9-10H2,1-2H3,(H,19,20,21,23)

InChI Key

YUCYFAFHQGXACN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05827615

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.452

Distribution Coefficient, logD

3.326

Water Solubility, LogSw

-3.64

Polar Surface Area

73.583

Acid Dissociation Constant (pKa)

7.87

Base Dissociation Constant (pKb)

-5.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

7189-0558 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antifungal Library (16415 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 7189-0558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7189-0558?
Check Price and Availability of 7189-0558, 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 7189-0558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7189-0558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7189-0558
  • 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 7189-0558 available by request