5262-0041 Screening compound: N-(6-methoxy-1,3-benzothiazol-2-yl)hept-5-ynamide

5262-0041 Screening compound: N-(6-methoxy-1,3-benzothiazol-2-yl)hept-5-ynamide
5262-0041 Screening compound: N-(6-methoxy-1,3-benzothiazol-2-yl)hept-5-ynamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5262-0041
N-(6-methoxy-1,3-benzothiazol-2-yl)hept-5-ynamide

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

5262-0041

Molecular Formula

C15H16N2O2S (C15 H16 N2 O2 S)

Compound Name

N-(6-methoxy-1,3-benzothiazol-2-yl)hept-5-ynamide

IUPAC name

N-(6-methoxy-13-benzothiazol-2-yl)hept-5-ynamide

SMILES

CC#CCCCC(Nc1nc(ccc(OC)c2)c2s1)=O

InChI

InChI=1S/C15H16N2O2S/c1-3-4-5-6-7-14(18)17-15-16-12-9-8-11(19-2)10-13(12)20-15/h8-10H,5-7H2,1-2H3,(H,16,17,18)

InChI Key

UQGVCIQUXRDUJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04093364

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

288.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.303

Distribution Coefficient, logD

3.303

Water Solubility, LogSw

-3.73

Polar Surface Area

40.693

Acid Dissociation Constant (pKa)

11.44

Base Dissociation Constant (pKb)

1.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

5262-0041 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 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
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Kinases
  • GPCR
  • Phosphatases
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 5262-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5262-0041?
Check Price and Availability of 5262-0041, 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 5262-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5262-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5262-0041
  • 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 5262-0041 available by request