3643-2179 Screening compound: 2-(1,1-dioxo-4-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}tetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-[3-(trifluoromethyl)phenyl]acetamide

3643-2179 Screening compound: 2-(1,1-dioxo-4-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}tetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-[3-(trifluoromethyl)phenyl]acetamide
3643-2179 Screening compound: 2-(1,1-dioxo-4-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}tetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-[3-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3643-2179
2-(1,1-dioxo-4-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}tetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-[3-(trifluoromethyl)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

3643-2179

Molecular Formula

C22H20F6N2O4S (C22 H20 F6 N2 O4 S)

Compound Name

2-(1,1-dioxo-4-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}tetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-[3-(trifluoromethyl)phenyl]acetamide

IUPAC name

2-[11-dioxo-4-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-1lambda6-thiolan-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

SMILES

O=C(CC(C1)C(CC(Nc2cc(C(F)(F)F)ccc2)=O)CS1(=O)=O)Nc1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C22H20F6N2O4S/c23-21(24,25)15-3-1-5-17(9-15)29-19(31)7-13-11-35(33,34)12-14(13)8-20(32)30-18-6-2-4-16(10-18)22(26,27)28/h1-6,9-10,13-14H,7-8,11-12H2,(H,29,31)(H,30,32)

InChI Key

HTODOOYBKGNIHD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02332646

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.217

Distribution Coefficient, logD

4.209

Water Solubility, LogSw

-4.41

Polar Surface Area

74.623

Acid Dissociation Constant (pKa)

9.11

Base Dissociation Constant (pKb)

-1.96

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.40

References: we are preparing a list of scientific research reports with 3643-2179 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 3643-2179 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3643-2179
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3643-2179
  • 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 3643-2179 available by request