8011-5610 Screening compound: 3-(4-acetylphenyl)-2H,3H,4H,6H,7H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one

8011-5610 Screening compound: 3-(4-acetylphenyl)-2H,3H,4H,6H,7H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
8011-5610 Screening compound: 3-(4-acetylphenyl)-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 8011-5610
3-(4-acetylphenyl)-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

8011-5610

Molecular Formula

C13H13N3O2S (C13 H13 N3 O2 S)

Compound Name

3-(4-acetylphenyl)-2H,3H,4H,6H,7H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one

IUPAC name

3-(4-acetylphenyl)-2H3H4H6H7H-[13]thiazolo[32-a][135]triazin-6-one

SMILES

CC(c(cc1)ccc1N(CN12)CN=C1SCC2=O)=O

InChI

InChI=1S/C13H13N3O2S/c1-9(17)10-2-4-11(5-3-10)15-7-14-13-16(8-15)12(18)6-19-13/h2-5H,6-8H2,1H3

InChI Key

SQOZENLUBQURGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02932760

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

275.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.052

Distribution Coefficient, logD

1.137

Water Solubility, LogSw

-2.34

Polar Surface Area

43.882

Acid Dissociation Constant (pKa)

21.69

Base Dissociation Constant (pKb)

8.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

8011-5610 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8011-5610 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-5610?
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What is the minimum amount of 8011-5610 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-5610
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-5610
  • 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 8011-5610 available by request