8175-0052 Screening compound: 3,5-dimethyl-1-phenyl-1H-pyrazolo[3,4-d][1,3]thiazole

8175-0052 Screening compound: 3,5-dimethyl-1-phenyl-1H-pyrazolo[3,4-d][1,3]thiazole
8175-0052 Screening compound: 3,5-dimethyl-1-phenyl-1H-pyrazolo[3,4-d][1,3]thiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8175-0052
3,5-dimethyl-1-phenyl-1H-pyrazolo[3,4-d][1,3]thiazole

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

8175-0052

Molecular Formula

C12H11N3S (C12 H11 N3 S)

Compound Name

3,5-dimethyl-1-phenyl-1H-pyrazolo[3,4-d][1,3]thiazole

IUPAC name

35-dimethyl-1-phenyl-1H-pyrazolo[34-d][13]thiazole

SMILES

Cc(c1c2nc(C)s1)nn2-c1ccccc1

InChI

InChI=1S/C12H11N3S/c1-8-11-12(13-9(2)16-11)15(14-8)10-6-4-3-5-7-10/h3-7H,1-2H3

InChI Key

YNJNWHQPVXADSV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01238380

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

229.31

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.860

Distribution Coefficient, logD

2.860

Water Solubility, LogSw

-2.98

Polar Surface Area

24.830

Acid Dissociation Constant (pKa)

29.87

Base Dissociation Constant (pKb)

-0.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

8175-0052 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Cardiovascular Library (22201 compounds)

Fragments Library (11262 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cardiovascular
Agro:
  • Agro
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 8175-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8175-0052?
Check Price and Availability of 8175-0052, 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 8175-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8175-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8175-0052
  • 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 8175-0052 available by request