7287-0188 Screening compound: ethyl 2-[(1,3-benzothiazol-2-yl)carbamoyl]acetate

7287-0188 Screening compound: ethyl 2-[(1,3-benzothiazol-2-yl)carbamoyl]acetate
7287-0188 Screening compound: ethyl 2-[(1,3-benzothiazol-2-yl)carbamoyl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7287-0188
ethyl 2-[(1,3-benzothiazol-2-yl)carbamoyl]acetate

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

7287-0188

Molecular Formula

C12H12N2O3S (C12 H12 N2 O3 S)

Compound Name

ethyl 2-[(1,3-benzothiazol-2-yl)carbamoyl]acetate

IUPAC name

ethyl 2-[(13-benzothiazol-2-yl)carbamoyl]acetate

SMILES

CCOC(CC(Nc1nc(cccc2)c2s1)=O)=O

InChI

InChI=1S/C12H12N2O3S/c1-2-17-11(16)7-10(15)14-12-13-8-5-3-4-6-9(8)18-12/h3-6H,2,7H2,1H3,(H,13,14,15)

InChI Key

NVCMBFZXLYWPCU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00574374

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

264.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.299

Distribution Coefficient, logD

2.299

Water Solubility, LogSw

-2.76

Polar Surface Area

53.308

Acid Dissociation Constant (pKa)

11.17

Base Dissociation Constant (pKb)

-1.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

7287-0188 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 compounds)

Dark Chemical Matter Library (18430 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 7287-0188 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7287-0188?
Check Price and Availability of 7287-0188, 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 7287-0188 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7287-0188
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7287-0188
  • 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 7287-0188 available by request