7213-0266 Screening compound: N-(4-fluoro-2-methylphenyl)-3-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propanamide

7213-0266 Screening compound: N-(4-fluoro-2-methylphenyl)-3-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propanamide
7213-0266 Screening compound: N-(4-fluoro-2-methylphenyl)-3-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7213-0266
N-(4-fluoro-2-methylphenyl)-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

7213-0266

Molecular Formula

C19H15F4N3O2S (C19 H15 F4 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc(cc1)F)c1NC(CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)=O

InChI

InChI=1S/C19H15F4N3O2S/c1-11-9-12(20)4-5-13(11)24-17(27)6-8-29-18-25-14(15-3-2-7-28-15)10-16(26-18)19(21,22)23/h2-5,7,9-10H,6,8H2,1H3,(H,24,27)

InChI Key

FKISPIWTBRSPPD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03110739

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.334

Distribution Coefficient, logD

4.334

Water Solubility, LogSw

-4.27

Polar Surface Area

48.018

Acid Dissociation Constant (pKa)

10.42

Base Dissociation Constant (pKb)

-0.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

7213-0266 in Drug Discovery

Included in Screening Libraries

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 7213-0266 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7213-0266?
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What is the minimum amount of 7213-0266 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7213-0266
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7213-0266
  • 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 7213-0266 available by request