5521-0236 Screening compound: (7Z)-7-[(2-hydroxyphenyl)methylidene]-3-phenyl-2H,3H,4H,6H,7H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one

5521-0236 Screening compound: (7Z)-7-[(2-hydroxyphenyl)methylidene]-3-phenyl-2H,3H,4H,6H,7H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
5521-0236 Screening compound: (7Z)-7-[(2-hydroxyphenyl)methylidene]-3-phenyl-2H,3H,4H,6H,7H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5521-0236
(7Z)-7-[(2-hydroxyphenyl)methylidene]-3-phenyl-2H,3H,4H,6H,7H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-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

5521-0236

Molecular Formula

C18H15N3O2S (C18 H15 N3 O2 S)

Compound Name

(7Z)-7-[(2-hydroxyphenyl)methylidene]-3-phenyl-2H,3H,4H,6H,7H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one

IUPAC name

(7Z)-7-[(2-hydroxyphenyl)methylidene]-3-phenyl-2H3H4H6H7H-[13]thiazolo[32-a][135]triazin-6-one

SMILES

Oc1c(/C=C(/C(N2C3)=O)\SC2=NCN3c2ccccc2)cccc1

InChI

InChI=1S/C18H15N3O2S/c22-15-9-5-4-6-13(15)10-16-17(23)21-12-20(11-19-18(21)24-16)14-7-2-1-3-8-14/h1-10,22H,11-12H2

InChI Key

BOAOAYZRSAAAMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03295611

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.314

Distribution Coefficient, logD

4.267

Water Solubility, LogSw

-3.88

Polar Surface Area

46.054

Acid Dissociation Constant (pKa)

8.70

Base Dissociation Constant (pKb)

6.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with 5521-0236 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5521-0236?
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What is the minimum amount of 5521-0236 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5521-0236
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5521-0236
  • 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 5521-0236 available by request