0133-0074 Screening compound: 2-(2-methyl-1,3-benzothiazol-5-yl)ethan-1-ol

0133-0074 Screening compound: 2-(2-methyl-1,3-benzothiazol-5-yl)ethan-1-ol
0133-0074 Screening compound: 2-(2-methyl-1,3-benzothiazol-5-yl)ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 0133-0074
2-(2-methyl-1,3-benzothiazol-5-yl)ethan-1-ol

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

0133-0074

Molecular Formula

C10H11NOS (C10 H11 NOS)

Compound Name

2-(2-methyl-1,3-benzothiazol-5-yl)ethan-1-ol

IUPAC name

2-(2-methyl-13-benzothiazol-5-yl)ethan-1-ol

SMILES

Cc1nc(cc(CCO)cc2)c2s1

InChI

InChI=1S/C10H11NOS/c1-7-11-9-6-8(4-5-12)2-3-10(9)13-7/h2-3,6,12H,4-5H2,1H3

InChI Key

LMONEXCPVOBHAU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00498264

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

193.27

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

1.691

Distribution Coefficient, logD

1.691

Water Solubility, LogSw

-1.70

Polar Surface Area

26.421

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

1.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

0133-0074 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Cardiovascular Library (22201 compounds)

Fragments Library (11262 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Structure:
  • Fragments
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 0133-0074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0133-0074?
Check Price and Availability of 0133-0074, 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 0133-0074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0133-0074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0133-0074
  • 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 0133-0074 available by request