5111-0315 Screening compound: 3-[(7Z)-3-(3-fluorophenyl)-6-oxo-2H,3H,4H,6H,7H-[1,3]thiazolo[3,2-a][1,3,5]triazin-7-ylidene]-5-methoxy-2,3-dihydro-1H-indol-2-one

5111-0315 Screening compound: 3-[(7Z)-3-(3-fluorophenyl)-6-oxo-2H,3H,4H,6H,7H-[1,3]thiazolo[3,2-a][1,3,5]triazin-7-ylidene]-5-methoxy-2,3-dihydro-1H-indol-2-one
5111-0315 Screening compound: 3-[(7Z)-3-(3-fluorophenyl)-6-oxo-2H,3H,4H,6H,7H-[1,3]thiazolo[3,2-a][1,3,5]triazin-7-ylidene]-5-methoxy-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5111-0315
3-[(7Z)-3-(3-fluorophenyl)-6-oxo-2H,3H,4H,6H,7H-[1,3]thiazolo[3,2-a][1,3,5]triazin-7-ylidene]-5-methoxy-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

5111-0315

Molecular Formula

C20H15FN4O3S (C20 H15 FN4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C20H15FN4O3S/c1-28-13-5-6-15-14(8-13)16(18(26)23-15)17-19(27)25-10-24(9-22-20(25)29-17)12-4-2-3-11(21)7-12/h2-8H,9-10H2,1H3,(H,23,26)

InChI Key

KCCMSYSNJUJHTC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03688258

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.790

Distribution Coefficient, logD

3.788

Water Solubility, LogSw

-4.07

Polar Surface Area

62.294

Acid Dissociation Constant (pKa)

12.52

Base Dissociation Constant (pKb)

4.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

5111-0315 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5111-0315 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5111-0315?
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What is the minimum amount of 5111-0315 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5111-0315
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5111-0315
  • 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 5111-0315 available by request