5111-0246 Screening compound: 3-[(7Z)-3-(3,5-dimethylphenyl)-6-oxo-2H,3H,4H,6H,7H-[1,3]thiazolo[3,2-a][1,3,5]triazin-7-ylidene]-1-methyl-2,3-dihydro-1H-indol-2-one

5111-0246 Screening compound: 3-[(7Z)-3-(3,5-dimethylphenyl)-6-oxo-2H,3H,4H,6H,7H-[1,3]thiazolo[3,2-a][1,3,5]triazin-7-ylidene]-1-methyl-2,3-dihydro-1H-indol-2-one
5111-0246 Screening compound: 3-[(7Z)-3-(3,5-dimethylphenyl)-6-oxo-2H,3H,4H,6H,7H-[1,3]thiazolo[3,2-a][1,3,5]triazin-7-ylidene]-1-methyl-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5111-0246
3-[(7Z)-3-(3,5-dimethylphenyl)-6-oxo-2H,3H,4H,6H,7H-[1,3]thiazolo[3,2-a][1,3,5]triazin-7-ylidene]-1-methyl-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

5111-0246

Molecular Formula

C22H20N4O2S (C22 H20 N4 O2 S)

Compound Name

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

IUPAC name

3-[(7Z)-3-(35-dimethylphenyl)-6-oxo-2H3H4H6H7H-[13]thiazolo[32-a][135]triazin-7-ylidene]-1-methyl-23-dihydro-1H-indol-2-one

SMILES

Cc1cc(N(CN2C3=O)CN=C2S/C3=C(/c(cccc2)c2N2C)\C2=O)cc(C)c1

InChI

InChI=1S/C22H20N4O2S/c1-13-8-14(2)10-15(9-13)25-11-23-22-26(12-25)21(28)19(29-22)18-16-6-4-5-7-17(16)24(3)20(18)27/h4-10H,11-12H2,1-3H3

InChI Key

YTHLZZYBAMADOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04006073

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.424

Distribution Coefficient, logD

4.389

Water Solubility, LogSw

-4.42

Polar Surface Area

45.012

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

6.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with 5111-0246 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5111-0246?
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What is the minimum amount of 5111-0246 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5111-0246
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5111-0246
  • 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 5111-0246 available by request