Y031-1344 Screening compound: 3-ethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide

Y031-1344 Screening compound: 3-ethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
Y031-1344 Screening compound: 3-ethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-1344
3-ethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide

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

Y031-1344

Molecular Formula

C13H16N2O2S (C13 H16 N2 O2 S)

Compound Name

3-ethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide

IUPAC name

3-ethoxy-N-(6-methyl-13-benzothiazol-2-yl)propanamide

SMILES

CCOCCC(Nc1nc(ccc(C)c2)c2s1)=O

InChI

InChI=1S/C13H16N2O2S/c1-3-17-7-6-12(16)15-13-14-10-5-4-9(2)8-11(10)18-13/h4-5,8H,3,6-7H2,1-2H3,(H,14,15,16)

InChI Key

DORIBWJMVWADIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06154845

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

264.35

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

3.054

Distribution Coefficient, logD

3.054

Water Solubility, LogSw

-3.19

Polar Surface Area

41.126

Acid Dissociation Constant (pKa)

11.49

Base Dissociation Constant (pKb)

-0.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

Y031-1344 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with Y031-1344 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-1344?
Check Price and Availability of Y031-1344, 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 Y031-1344 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-1344
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-1344
  • 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 Y031-1344 available by request