4593-3756 Screening compound: ethyl N-(6-methoxy-1,3-benzothiazol-2-yl)carbamate

4593-3756 Screening compound: ethyl N-(6-methoxy-1,3-benzothiazol-2-yl)carbamate
4593-3756 Screening compound: ethyl N-(6-methoxy-1,3-benzothiazol-2-yl)carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4593-3756
ethyl N-(6-methoxy-1,3-benzothiazol-2-yl)carbamate

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

4593-3756

Molecular Formula

C11H12N2O3S (C11 H12 N2 O3 S)

Compound Name

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

IUPAC name

ethyl N-(6-methoxy-13-benzothiazol-2-yl)carbamate

SMILES

CCOC(Nc1nc(ccc(OC)c2)c2s1)=O

InChI

InChI=1S/C11H12N2O3S/c1-3-16-11(14)13-10-12-8-5-4-7(15-2)6-9(8)17-10/h4-6H,3H2,1-2H3,(H,12,13,14)

InChI Key

GHIRUMJDKBOSME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00796098

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

252.29

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.109

Distribution Coefficient, logD

3.109

Water Solubility, LogSw

-3.44

Polar Surface Area

48.987

Acid Dissociation Constant (pKa)

10.81

Base Dissociation Constant (pKb)

1.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

4593-3756 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4593-3756 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4593-3756?
Check Price and Availability of 4593-3756, 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 4593-3756 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4593-3756
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4593-3756
  • 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 4593-3756 available by request