7213-0364 Screening compound: 2-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-1-(2-methylpiperidin-1-yl)ethan-1-one

7213-0364 Screening compound: 2-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-1-(2-methylpiperidin-1-yl)ethan-1-one
7213-0364 Screening compound: 2-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-1-(2-methylpiperidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 7213-0364
2-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-1-(2-methylpiperidin-1-yl)ethan-1-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

7213-0364

Molecular Formula

C21H24F3N3O3S (C21 H24 F3 N3 O3 S)

Compound Name

2-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-1-(2-methylpiperidin-1-yl)ethan-1-one

IUPAC name

2-{[4-(34-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-1-(2-methylpiperidin-1-yl)ethan-1-one

SMILES

CC(CCCC1)N1C(CSc1nc(-c(cc2)cc(OC)c2OC)cc(C(F)(F)F)n1)=O

InChI

InChI=1S/C21H24F3N3O3S/c1-13-6-4-5-9-27(13)19(28)12-31-20-25-15(11-18(26-20)21(22,23)24)14-7-8-16(29-2)17(10-14)30-3/h7-8,10-11,13H,4-6,9,12H2,1-3H3/t13-/m0/s1

InChI Key

SLNLTACNTRQFOQ-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD03045224

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.399

Distribution Coefficient, logD

4.399

Water Solubility, LogSw

-4.36

Polar Surface Area

47.927

Acid Dissociation Constant (pKa)

18.42

Base Dissociation Constant (pKb)

3.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.60

7213-0364 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 7213-0364 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7213-0364?
Check Price and Availability of 7213-0364, 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 7213-0364 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7213-0364
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7213-0364
  • 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 7213-0364 available by request