7213-0271 Screening compound: N-[4-(dimethylamino)phenyl]-3-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propanamide

7213-0271 Screening compound: N-[4-(dimethylamino)phenyl]-3-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propanamide
7213-0271 Screening compound: N-[4-(dimethylamino)phenyl]-3-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7213-0271
N-[4-(dimethylamino)phenyl]-3-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}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

7213-0271

Molecular Formula

C20H19F3N4O2S (C20 H19 F3 N4 O2 S)

Compound Name

N-[4-(dimethylamino)phenyl]-3-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propanamide

IUPAC name

N-[4-(dimethylamino)phenyl]-3-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propanamide

SMILES

CN(C)c(cc1)ccc1NC(CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)=O

InChI

InChI=1S/C20H19F3N4O2S/c1-27(2)14-7-5-13(6-8-14)24-18(28)9-11-30-19-25-15(16-4-3-10-29-16)12-17(26-19)20(21,22)23/h3-8,10,12H,9,11H2,1-2H3,(H,24,28)

InChI Key

RKTHORTZGBDOBG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03110744

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.405

Distribution Coefficient, logD

4.397

Water Solubility, LogSw

-4.29

Polar Surface Area

51.521

Acid Dissociation Constant (pKa)

12.27

Base Dissociation Constant (pKb)

9.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

7213-0271 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 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 7213-0271 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7213-0271?
Check Price and Availability of 7213-0271, 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 7213-0271 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7213-0271
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7213-0271
  • 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 7213-0271 available by request