5111-0244 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]-5,7-dimethyl-2,3-dihydro-1H-indol-2-one

5111-0244 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]-5,7-dimethyl-2,3-dihydro-1H-indol-2-one
5111-0244 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]-5,7-dimethyl-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5111-0244
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]-5,7-dimethyl-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

5111-0244

Molecular Formula

C23H22N4O2S (C23 H22 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]-5,7-dimethyl-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]-57-dimethyl-23-dihydro-1H-indol-2-one

SMILES

Cc(cc1C)cc(/C2=C(\C(N3C4)=O)/SC3=NCN4c3cc(C)cc(C)c3)c1NC2=O

InChI

InChI=1S/C23H22N4O2S/c1-12-5-13(2)8-16(7-12)26-10-24-23-27(11-26)22(29)20(30-23)18-17-9-14(3)6-15(4)19(17)25-21(18)28/h5-9H,10-11H2,1-4H3,(H,25,28)

InChI Key

BWQGFVMYYVTMPW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03693824

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.999

Distribution Coefficient, logD

4.964

Water Solubility, LogSw

-4.49

Polar Surface Area

52.498

Acid Dissociation Constant (pKa)

13.34

Base Dissociation Constant (pKb)

6.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

5111-0244 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5111-0244 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5111-0244?
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What is the minimum amount of 5111-0244 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5111-0244
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5111-0244
  • 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 5111-0244 available by request