Y021-0662 Screening compound: 2-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-2H-indazol-3-ol

Y021-0662 Screening compound: 2-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-2H-indazol-3-ol
Y021-0662 Screening compound: 2-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-2H-indazol-3-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-0662
2-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-2H-indazol-3-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

Y021-0662

Molecular Formula

C14H13N3OS (C14 H13 N3 OS)

Compound Name

2-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-2H-indazol-3-ol

IUPAC name

2-(13-benzothiazol-2-yl)-4567-tetrahydro-2H-indazol-3-ol

SMILES

Oc1c(CCCC2)c2nn1-c1nc(cccc2)c2s1

InChI

InChI=1S/C14H13N3OS/c18-13-9-5-1-2-6-10(9)16-17(13)14-15-11-7-3-4-8-12(11)19-14/h3-4,7-8,18H,1-2,5-6H2

InChI Key

QCIFTVIFOWJGTB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08132253

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

271.34

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.432

Distribution Coefficient, logD

2.764

Water Solubility, LogSw

-3.58

Polar Surface Area

40.468

Acid Dissociation Constant (pKa)

6.84

Base Dissociation Constant (pKb)

3.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

Y021-0662 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

GABA Library (7115 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Eye
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with Y021-0662 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-0662?
Check Price and Availability of Y021-0662, 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 Y021-0662 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-0662
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-0662
  • 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 Y021-0662 available by request