5468-3408 Screening compound: phenyl N-(6-methoxy-1,3-benzothiazol-2-yl)carbamate

5468-3408 Screening compound: phenyl N-(6-methoxy-1,3-benzothiazol-2-yl)carbamate
5468-3408 Screening compound: phenyl N-(6-methoxy-1,3-benzothiazol-2-yl)carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5468-3408
phenyl 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

5468-3408

Molecular Formula

C15H12N2O3S (C15 H12 N2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)cc2c1nc(NC(Oc1ccccc1)=O)s2

InChI

InChI=1S/C15H12N2O3S/c1-19-11-7-8-12-13(9-11)21-14(16-12)17-15(18)20-10-5-3-2-4-6-10/h2-9H,1H3,(H,16,17,18)

InChI Key

CVBDOCQXYLTRHB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02959954

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.34

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

4.281

Distribution Coefficient, logD

4.281

Water Solubility, LogSw

-4.46

Polar Surface Area

48.611

Acid Dissociation Constant (pKa)

10.62

Base Dissociation Constant (pKb)

0.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

5468-3408 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Others
  • GPCR
Mechanism of action:
  • Epigenetic
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 5468-3408 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5468-3408?
Check Price and Availability of 5468-3408, 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 5468-3408 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5468-3408
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5468-3408
  • 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 5468-3408 available by request