7213-0073 Screening compound: ethyl 4,5-dimethyl-2-(2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamido)thiophene-3-carboxylate

7213-0073 Screening compound: ethyl 4,5-dimethyl-2-(2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamido)thiophene-3-carboxylate
7213-0073 Screening compound: ethyl 4,5-dimethyl-2-(2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamido)thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7213-0073
ethyl 4,5-dimethyl-2-(2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamido)thiophene-3-carboxylate

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

7213-0073

Molecular Formula

C22H20F3N3O3S2 (C22 H20 F3 N3 O3 S2)

Compound Name

ethyl 4,5-dimethyl-2-(2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamido)thiophene-3-carboxylate

IUPAC name

ethyl 45-dimethyl-2-(2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamido)thiophene-3-carboxylate

SMILES

CCOC(c1c(NC(CSc2nc(-c3ccccc3)cc(C(F)(F)F)n2)=O)sc(C)c1C)=O

InChI

InChI=1S/C22H20F3N3O3S2/c1-4-31-20(30)18-12(2)13(3)33-19(18)28-17(29)11-32-21-26-15(14-8-6-5-7-9-14)10-16(27-21)22(23,24)25/h5-10H,4,11H2,1-3H3,(H,28,29)

InChI Key

ZYUDQMPHIVGWNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02734872

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

5.838

Distribution Coefficient, logD

3.773

Water Solubility, LogSw

-5.54

Polar Surface Area

60.686

Acid Dissociation Constant (pKa)

5.34

Base Dissociation Constant (pKb)

-0.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

7213-0073 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 7213-0073 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7213-0073?
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What is the minimum amount of 7213-0073 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7213-0073
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7213-0073
  • 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 7213-0073 available by request