8014-9946 Screening compound: (6-methyl-5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)(phenyl)methanone

8014-9946 Screening compound: (6-methyl-5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)(phenyl)methanone
8014-9946 Screening compound: (6-methyl-5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)(phenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-9946
(6-methyl-5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)(phenyl)methanone

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

8014-9946

Molecular Formula

C12H11N3OS (C12 H11 N3 OS)

Compound Name

(6-methyl-5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)(phenyl)methanone

IUPAC name

3-benzoyl-6-methyl-5H6H-[124]triazolo[34-b][13]thiazole

SMILES

CC1Sc2nnc(C(c3ccccc3)=O)n2C1

InChI

InChI=1S/C12H11N3OS/c1-8-7-15-11(13-14-12(15)17-8)10(16)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3/t8-/m0/s1

InChI Key

NCUAZNBOULEUMH-QMMMGPOBSA-N

MDL Number (MFCD)

MFCD03821514

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

245.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.227

Distribution Coefficient, logD

2.227

Water Solubility, LogSw

-2.38

Polar Surface Area

37.862

Acid Dissociation Constant (pKa)

19.84

Base Dissociation Constant (pKb)

1.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

8014-9946 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiparasite Library (23996 compounds)

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

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8014-9946 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-9946?
Check Price and Availability of 8014-9946, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8014-9946 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-9946
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-9946
  • 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 8014-9946 available by request