8011-5606 Screening compound: (7Z)-3-phenyl-7-[(pyridin-3-yl)methylidene]-2H,3H,4H,6H,7H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one

8011-5606 Screening compound: (7Z)-3-phenyl-7-[(pyridin-3-yl)methylidene]-2H,3H,4H,6H,7H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
8011-5606 Screening compound: (7Z)-3-phenyl-7-[(pyridin-3-yl)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 8011-5606
(7Z)-3-phenyl-7-[(pyridin-3-yl)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

8011-5606

Molecular Formula

C17H14N4OS (C17 H14 N4 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C(/C(/S1)=C/c2cnccc2)N(C2)C1=NCN2c1ccccc1

InChI

InChI=1S/C17H14N4OS/c22-16-15(9-13-5-4-8-18-10-13)23-17-19-11-20(12-21(16)17)14-6-2-1-3-7-14/h1-10H,11-12H2

InChI Key

QBXCKDIKXGWBTE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02932757

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.323

Distribution Coefficient, logD

3.297

Water Solubility, LogSw

-3.32

Polar Surface Area

39.024

Acid Dissociation Constant (pKa)

31.84

Base Dissociation Constant (pKb)

6.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

References: we are preparing a list of scientific research reports with 8011-5606 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-5606?
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What is the minimum amount of 8011-5606 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-5606
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-5606
  • 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 8011-5606 available by request