6466-0316 Screening compound: ethyl 2-(2-{[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamido)-4,5-dimethylthiophene-3-carboxylate

6466-0316 Screening compound: ethyl 2-(2-{[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamido)-4,5-dimethylthiophene-3-carboxylate
6466-0316 Screening compound: ethyl 2-(2-{[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamido)-4,5-dimethylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6466-0316
ethyl 2-(2-{[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamido)-4,5-dimethylthiophene-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

6466-0316

Molecular Formula

C23H22F3N3O4S2 (C23 H22 F3 N3 O4 S2)

Compound Name

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

IUPAC name

ethyl 2-(2-{[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamido)-45-dimethylthiophene-3-carboxylate

SMILES

CCOC(c1c(NC(CSc2nc(-c(cc3)ccc3OC)cc(C(F)(F)F)n2)=O)sc(C)c1C)=O

InChI

InChI=1S/C23H22F3N3O4S2/c1-5-33-21(31)19-12(2)13(3)35-20(19)29-18(30)11-34-22-27-16(10-17(28-22)23(24,25)26)14-6-8-15(32-4)9-7-14/h6-10H,5,11H2,1-4H3,(H,29,30)

InChI Key

NWWCYVMVBHHEQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02735788

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

525.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.926

Distribution Coefficient, logD

3.860

Water Solubility, LogSw

-5.60

Polar Surface Area

68.230

Acid Dissociation Constant (pKa)

5.34

Base Dissociation Constant (pKb)

-0.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

6466-0316 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 6466-0316 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6466-0316?
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What is the minimum amount of 6466-0316 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6466-0316
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6466-0316
  • 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 6466-0316 available by request