5596-0923 Screening compound: N-(1,3-benzothiazol-2-yl)-4-(3-methylphenoxy)butanamide

5596-0923 Screening compound: N-(1,3-benzothiazol-2-yl)-4-(3-methylphenoxy)butanamide
5596-0923 Screening compound: N-(1,3-benzothiazol-2-yl)-4-(3-methylphenoxy)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5596-0923
N-(1,3-benzothiazol-2-yl)-4-(3-methylphenoxy)butanamide

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

5596-0923

Molecular Formula

C18H18N2O2S (C18 H18 N2 O2 S)

Compound Name

N-(1,3-benzothiazol-2-yl)-4-(3-methylphenoxy)butanamide

IUPAC name

N-(13-benzothiazol-2-yl)-4-(3-methylphenoxy)butanamide

SMILES

Cc1cccc(OCCCC(Nc2nc(cccc3)c3s2)=O)c1

InChI

InChI=1S/C18H18N2O2S/c1-13-6-4-7-14(12-13)22-11-5-10-17(21)20-18-19-15-8-2-3-9-16(15)23-18/h2-4,6-9,12H,5,10-11H2,1H3,(H,19,20,21)

InChI Key

PYDNGMUSRMMOSB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02367920

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.42

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

4.553

Distribution Coefficient, logD

4.553

Water Solubility, LogSw

-4.38

Polar Surface Area

40.295

Acid Dissociation Constant (pKa)

11.13

Base Dissociation Constant (pKb)

3.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

5596-0923 in Drug Discovery

Included in Screening Libraries

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 5596-0923 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5596-0923?
Check Price and Availability of 5596-0923, 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 5596-0923 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5596-0923
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5596-0923
  • 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 5596-0923 available by request