Y206-8241 Screening compound: N~3~-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-methyl-3-isoxazolecarboxamide

Y206-8241 Screening compound: N~3~-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-methyl-3-isoxazolecarboxamide
Y206-8241 Screening compound: N~3~-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-methyl-3-isoxazolecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y206-8241
N~3~-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-methyl-3-isoxazolecarboxamide

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

Y206-8241

Molecular Formula

C14H13N3O2S (C14 H13 N3 O2 S)

Compound Name

N~3~-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-methyl-3-isoxazolecarboxamide

IUPAC name

N-(3-cyano-4567-tetrahydro-1-benzothiophen-2-yl)-5-methyl-12-oxazole-3-carboxamide

SMILES

Cc1cc(C(Nc(sc2c3CCCC2)c3C#N)=O)no1

InChI

InChI=1S/C14H13N3O2S/c1-8-6-11(17-19-8)13(18)16-14-10(7-15)9-4-2-3-5-12(9)20-14/h6H,2-5H2,1H3,(H,16,18)

InChI Key

ZSSNHLJWIDWUJU-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.063

Distribution Coefficient, logD

1.393

Water Solubility, LogSw

-3.34

Polar Surface Area

61.329

Acid Dissociation Constant (pKa)

5.74

Base Dissociation Constant (pKb)

-6.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.71

Y206-8241 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Receptors Annotated Library (5376 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y206-8241 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y206-8241?
Check Price and Availability of Y206-8241, 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 Y206-8241 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y206-8241
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y206-8241
  • 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 Y206-8241 available by request