Y031-1303 Screening compound: N-(1,3-benzothiazol-2-yl)-3-ethoxypropanamide

Y031-1303 Screening compound: N-(1,3-benzothiazol-2-yl)-3-ethoxypropanamide
Y031-1303 Screening compound: N-(1,3-benzothiazol-2-yl)-3-ethoxypropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-1303
N-(1,3-benzothiazol-2-yl)-3-ethoxypropanamide

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

Y031-1303

Molecular Formula

C12H14N2O2S (C12 H14 N2 O2 S)

Compound Name

N-(1,3-benzothiazol-2-yl)-3-ethoxypropanamide

IUPAC name

N-(13-benzothiazol-2-yl)-3-ethoxypropanamide

SMILES

CCOCCC(Nc1nc(cccc2)c2s1)=O

InChI

InChI=1S/C12H14N2O2S/c1-2-16-8-7-11(15)14-12-13-9-5-3-4-6-10(9)17-12/h3-6H,2,7-8H2,1H3,(H,13,14,15)

InChI Key

AUZHSMQHFYARJY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06154663

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

250.32

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.666

Distribution Coefficient, logD

2.666

Water Solubility, LogSw

-3.03

Polar Surface Area

41.126

Acid Dissociation Constant (pKa)

11.33

Base Dissociation Constant (pKb)

3.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

Y031-1303 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with Y031-1303 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-1303?
Check Price and Availability of Y031-1303, 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 Y031-1303 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-1303
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-1303
  • 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 Y031-1303 available by request