5521-0193 Screening compound: (7Z)-3-(4-chlorophenyl)-7-[(4-nitrophenyl)methylidene]-2H,3H,4H,6H,7H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one

5521-0193 Screening compound: (7Z)-3-(4-chlorophenyl)-7-[(4-nitrophenyl)methylidene]-2H,3H,4H,6H,7H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
5521-0193 Screening compound: (7Z)-3-(4-chlorophenyl)-7-[(4-nitrophenyl)methylidene]-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 5521-0193
(7Z)-3-(4-chlorophenyl)-7-[(4-nitrophenyl)methylidene]-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

5521-0193

Molecular Formula

C18H13ClN4O3S (C18 H13 ClN4 O3 S)

Compound Name

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

IUPAC name

(7Z)-3-(4-chlorophenyl)-7-[(4-nitrophenyl)methylidene]-2H3H4H6H7H-[13]thiazolo[32-a][135]triazin-6-one

SMILES

[O-][N+](c1ccc(/C=C(/C(N2C3)=O)\SC2=NCN3c(cc2)ccc2Cl)cc1)=O

InChI

InChI=1S/C18H13ClN4O3S/c19-13-3-7-14(8-4-13)21-10-20-18-22(11-21)17(24)16(27-18)9-12-1-5-15(6-2-12)23(25)26/h1-9H,10-11H2

InChI Key

OWYUTFOWJREFMA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03292823

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.85

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.125

Distribution Coefficient, logD

5.099

Water Solubility, LogSw

-5.83

Polar Surface Area

62.888

Acid Dissociation Constant (pKa)

31.45

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 5521-0193 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5521-0193?
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What is the minimum amount of 5521-0193 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5521-0193
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5521-0193
  • 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 5521-0193 available by request