5111-0289 Screening compound: 3-[(7Z)-6-oxo-3-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

5111-0289 Screening compound: 3-[(7Z)-6-oxo-3-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
5111-0289 Screening compound: 3-[(7Z)-6-oxo-3-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 5111-0289
3-[(7Z)-6-oxo-3-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

5111-0289

Molecular Formula

C19H14N4O2S (C19 H14 N4 O2 S)

Compound Name

3-[(7Z)-6-oxo-3-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

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

SMILES

O=C1Nc(cccc2)c2/C1=C(\C(N1C2)=O)/SC1=NCN2c1ccccc1

InChI

InChI=1S/C19H14N4O2S/c24-17-15(13-8-4-5-9-14(13)21-17)16-18(25)23-11-22(10-20-19(23)26-16)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,21,24)

InChI Key

NWOURBYDIHFWRT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03681477

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.41

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

3.597

Distribution Coefficient, logD

3.595

Water Solubility, LogSw

-3.91

Polar Surface Area

54.750

Acid Dissociation Constant (pKa)

12.54

Base Dissociation Constant (pKb)

4.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

References: we are preparing a list of scientific research reports with 5111-0289 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5111-0289?
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What is the minimum amount of 5111-0289 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5111-0289
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5111-0289
  • 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 5111-0289 available by request