7213-0400 Screening compound: 2-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[2-(methylsulfanyl)phenyl]acetamide

7213-0400 Screening compound: 2-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[2-(methylsulfanyl)phenyl]acetamide
7213-0400 Screening compound: 2-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[2-(methylsulfanyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7213-0400
2-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[2-(methylsulfanyl)phenyl]acetamide

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

7213-0400

Molecular Formula

C22H20F3N3O3S2 (C22 H20 F3 N3 O3 S2)

Compound Name

2-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[2-(methylsulfanyl)phenyl]acetamide

IUPAC name

2-{[4-(34-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[2-(methylsulfanyl)phenyl]acetamide

SMILES

COc(ccc(-c1cc(C(F)(F)F)nc(SCC(Nc(cccc2)c2SC)=O)n1)c1)c1OC

InChI

InChI=1S/C22H20F3N3O3S2/c1-30-16-9-8-13(10-17(16)31-2)15-11-19(22(23,24)25)28-21(27-15)33-12-20(29)26-14-6-4-5-7-18(14)32-3/h4-11H,12H2,1-3H3,(H,26,29)

InChI Key

DRDSMIICMDGCRF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03045275

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.865

Distribution Coefficient, logD

4.865

Water Solubility, LogSw

-4.64

Polar Surface Area

54.701

Acid Dissociation Constant (pKa)

12.54

Base Dissociation Constant (pKb)

0.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with 7213-0400 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7213-0400?
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What is the minimum amount of 7213-0400 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7213-0400
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7213-0400
  • 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 7213-0400 available by request