Y205-4159 Screening compound: N~3~-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-methyl-3-isoxazolecarboxamide

Y205-4159 Screening compound: N~3~-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-methyl-3-isoxazolecarboxamide
Y205-4159 Screening compound: N~3~-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-methyl-3-isoxazolecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y205-4159
N~3~-(3-cyano-6-methyl-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

Y205-4159

Molecular Formula

C15H15N3O2S (C15 H15 N3 O2 S)

Compound Name

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

IUPAC name

N-(3-cyano-6-methyl-4567-tetrahydro-1-benzothiophen-2-yl)-5-methyl-12-oxazole-3-carboxamide

SMILES

CC(CC1)Cc2c1c(C#N)c(NC(c1noc(C)c1)=O)s2

InChI

InChI=1S/C15H15N3O2S/c1-8-3-4-10-11(7-16)15(21-13(10)5-8)17-14(19)12-6-9(2)20-18-12/h6,8H,3-5H2,1-2H3,(H,17,19)/t8-/m1/s1

InChI Key

WRUYVPAPSGQSGG-MRVPVSSYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

301.37

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

3.497

Distribution Coefficient, logD

1.827

Water Solubility, LogSw

-3.98

Polar Surface Area

61.329

Acid Dissociation Constant (pKa)

5.74

Base Dissociation Constant (pKb)

-6.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

Y205-4159 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y205-4159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y205-4159?
Check Price and Availability of Y205-4159, 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 Y205-4159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y205-4159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y205-4159
  • 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 Y205-4159 available by request