5111-0290 Screening compound: 1-methyl-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

5111-0290 Screening compound: 1-methyl-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
5111-0290 Screening compound: 1-methyl-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 5111-0290
1-methyl-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

5111-0290

Molecular Formula

C20H16N4O2S (C20 H16 N4 O2 S)

Compound Name

1-methyl-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

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

SMILES

CN(c(cccc1)c1/C1=C(\C(N2C3)=O)/SC2=NCN3c2ccccc2)C1=O

InChI

InChI=1S/C20H16N4O2S/c1-22-15-10-6-5-9-14(15)16(18(22)25)17-19(26)24-12-23(11-21-20(24)27-17)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3

InChI Key

LBBYNKSSKYYMAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04006005

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.44

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

3.472

Distribution Coefficient, logD

3.471

Water Solubility, LogSw

-3.88

Polar Surface Area

45.012

Acid Dissociation Constant (pKa)

29.04

Base Dissociation Constant (pKb)

4.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

5111-0290 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 5111-0290 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5111-0290?
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What is the minimum amount of 5111-0290 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5111-0290
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5111-0290
  • 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 5111-0290 available by request