2806-0252 Screening compound: N~1~-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2-pyridylsulfanyl)acetamide

2806-0252 Screening compound: N~1~-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2-pyridylsulfanyl)acetamide
2806-0252 Screening compound: N~1~-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2-pyridylsulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2806-0252
N~1~-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2-pyridylsulfanyl)acetamide

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

2806-0252

Molecular Formula

C15H13N3O2S2 (C15 H13 N3 O2 S2)

Compound Name

N~1~-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2-pyridylsulfanyl)acetamide

IUPAC name

N-(6-methoxy-13-benzothiazol-2-yl)-2-(pyridin-2-ylsulfanyl)acetamide

SMILES

COc(cc1)cc2c1nc(NC(CSc1ncccc1)=O)s2

InChI

InChI=1S/C15H13N3O2S2/c1-20-10-5-6-11-12(8-10)22-15(17-11)18-13(19)9-21-14-4-2-3-7-16-14/h2-8H,9H2,1H3,(H,17,18,19)

InChI Key

PAKPWRPRKQMGTL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01578344

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.273

Distribution Coefficient, logD

3.273

Water Solubility, LogSw

-3.63

Polar Surface Area

48.830

Acid Dissociation Constant (pKa)

11.66

Base Dissociation Constant (pKb)

1.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.33

2806-0252 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 2806-0252 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2806-0252?
Check Price and Availability of 2806-0252, 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 2806-0252 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2806-0252
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2806-0252
  • 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 2806-0252 available by request