7213-0282 Screening compound: 3-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)propanamide

7213-0282 Screening compound: 3-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)propanamide
7213-0282 Screening compound: 3-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7213-0282
3-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)propanamide

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

7213-0282

Molecular Formula

C16H13F3N4O3S (C16 H13 F3 N4 O3 S)

Compound Name

3-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)propanamide

IUPAC name

3-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-(5-methyl-12-oxazol-3-yl)propanamide

SMILES

Cc1cc(NC(CCSc2nc(-c3ccco3)cc(C(F)(F)F)n2)=O)no1

InChI

InChI=1S/C16H13F3N4O3S/c1-9-7-13(23-26-9)22-14(24)4-6-27-15-20-10(11-3-2-5-25-11)8-12(21-15)16(17,18)19/h2-3,5,7-8H,4,6H2,1H3,(H,22,23,24)

InChI Key

PCIKHZUCKNRPCN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03110755

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.37

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

3.689

Distribution Coefficient, logD

3.649

Water Solubility, LogSw

-3.95

Polar Surface Area

70.512

Acid Dissociation Constant (pKa)

8.41

Base Dissociation Constant (pKb)

-0.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

7213-0282 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

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

GPCR Targeted Library (31838 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:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 7213-0282 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7213-0282?
Check Price and Availability of 7213-0282, 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 7213-0282 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7213-0282
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7213-0282
  • 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 7213-0282 available by request