2072-0598 Screening compound: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-propoxybenzamide

2072-0598 Screening compound: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-propoxybenzamide
2072-0598 Screening compound: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-propoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2072-0598
N-(6-methoxy-1,3-benzothiazol-2-yl)-3-propoxybenzamide

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

2072-0598

Molecular Formula

C18H18N2O3S (C18 H18 N2 O3 S)

Compound Name

N-(6-methoxy-1,3-benzothiazol-2-yl)-3-propoxybenzamide

IUPAC name

N-(6-methoxy-13-benzothiazol-2-yl)-3-propoxybenzamide

SMILES

CCCOc1cccc(C(Nc2nc(ccc(OC)c3)c3s2)=O)c1

InChI

InChI=1S/C18H18N2O3S/c1-3-9-23-14-6-4-5-12(10-14)17(21)20-18-19-15-8-7-13(22-2)11-16(15)24-18/h4-8,10-11H,3,9H2,1-2H3,(H,19,20,21)

InChI Key

CHLPALBAWGKDML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01532726

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.987

Distribution Coefficient, logD

4.987

Water Solubility, LogSw

-4.69

Polar Surface Area

48.052

Acid Dissociation Constant (pKa)

10.73

Base Dissociation Constant (pKb)

0.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

2072-0598 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Aging Library (44940 compounds)

Anti-infective Library (19449 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Nervous system
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Kinases
  • Ion Channels
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 2072-0598 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2072-0598?
Check Price and Availability of 2072-0598, 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 2072-0598 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2072-0598
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2072-0598
  • 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 2072-0598 available by request