Y031-0701 Screening compound: N-(4-methyl-1,3-benzothiazol-2-yl)oxolane-2-carboxamide

Y031-0701 Screening compound: N-(4-methyl-1,3-benzothiazol-2-yl)oxolane-2-carboxamide
Y031-0701 Screening compound: N-(4-methyl-1,3-benzothiazol-2-yl)oxolane-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-0701
N-(4-methyl-1,3-benzothiazol-2-yl)oxolane-2-carboxamide

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

Y031-0701

Molecular Formula

C13H14N2O2S (C13 H14 N2 O2 S)

Compound Name

N-(4-methyl-1,3-benzothiazol-2-yl)oxolane-2-carboxamide

IUPAC name

N-(4-methyl-13-benzothiazol-2-yl)oxolane-2-carboxamide

SMILES

Cc1cccc2c1nc(NC(C1OCCC1)=O)s2

InChI

InChI=1S/C13H14N2O2S/c1-8-4-2-6-10-11(8)14-13(18-10)15-12(16)9-5-3-7-17-9/h2,4,6,9H,3,5,7H2,1H3,(H,14,15,16)/t9-/m0/s1

InChI Key

SJXBQRZUENKNEV-VIFPVBQESA-N

MDL Number (MFCD)

MFCD05240195

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

262.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.806

Distribution Coefficient, logD

2.806

Water Solubility, LogSw

-3.12

Polar Surface Area

42.273

Acid Dissociation Constant (pKa)

10.56

Base Dissociation Constant (pKb)

0.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

Y031-0701 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Annotated Library (21441 compounds)

CNS MPO Library (28609 compounds)

Fragments Library (11262 compounds)

Human GPCR Annotated Library (5539 compounds)

Human Receptors Annotated Library (5376 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with Y031-0701 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-0701?
Check Price and Availability of Y031-0701, 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 Y031-0701 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-0701
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-0701
  • 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 Y031-0701 available by request