5111-0322 Screening compound: 5-ethoxy-3-[(7Z)-6-oxo-3-[3-(trifluoromethyl)phenyl]-2H,3H,4H,6H,7H-[1,3]thiazolo[3,2-a][1,3,5]triazin-7-ylidene]-2,3-dihydro-1H-indol-2-one

5111-0322 Screening compound: 5-ethoxy-3-[(7Z)-6-oxo-3-[3-(trifluoromethyl)phenyl]-2H,3H,4H,6H,7H-[1,3]thiazolo[3,2-a][1,3,5]triazin-7-ylidene]-2,3-dihydro-1H-indol-2-one
5111-0322 Screening compound: 5-ethoxy-3-[(7Z)-6-oxo-3-[3-(trifluoromethyl)phenyl]-2H,3H,4H,6H,7H-[1,3]thiazolo[3,2-a][1,3,5]triazin-7-ylidene]-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5111-0322
5-ethoxy-3-[(7Z)-6-oxo-3-[3-(trifluoromethyl)phenyl]-2H,3H,4H,6H,7H-[1,3]thiazolo[3,2-a][1,3,5]triazin-7-ylidene]-2,3-dihydro-1H-indol-2-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

5111-0322

Molecular Formula

C22H17F3N4O3S (C22 H17 F3 N4 O3 S)

Compound Name

5-ethoxy-3-[(7Z)-6-oxo-3-[3-(trifluoromethyl)phenyl]-2H,3H,4H,6H,7H-[1,3]thiazolo[3,2-a][1,3,5]triazin-7-ylidene]-2,3-dihydro-1H-indol-2-one

IUPAC name

5-ethoxy-3-[(7Z)-6-oxo-3-[3-(trifluoromethyl)phenyl]-2H3H4H6H7H-[13]thiazolo[32-a][135]triazin-7-ylidene]-23-dihydro-1H-indol-2-one

SMILES

CCOc(cc1)cc(/C2=C(\C(N3C4)=O)/SC3=NCN4c3cc(C(F)(F)F)ccc3)c1NC2=O

InChI

InChI=1S/C22H17F3N4O3S/c1-2-32-14-6-7-16-15(9-14)17(19(30)27-16)18-20(31)29-11-28(10-26-21(29)33-18)13-5-3-4-12(8-13)22(23,24)25/h3-9H,2,10-11H2,1H3,(H,27,30)

InChI Key

BYGMVLRSOQAHQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03685220

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.958

Distribution Coefficient, logD

4.951

Water Solubility, LogSw

-4.55

Polar Surface Area

61.873

Acid Dissociation Constant (pKa)

12.52

Base Dissociation Constant (pKb)

5.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with 5111-0322 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5111-0322?
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What is the minimum amount of 5111-0322 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5111-0322
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5111-0322
  • 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 5111-0322 available by request