Y206-3199 Screening compound: N~1~-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-phenyl-2-propynamide

Y206-3199 Screening compound: N~1~-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-phenyl-2-propynamide
Y206-3199 Screening compound: N~1~-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-phenyl-2-propynamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y206-3199
N~1~-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-phenyl-2-propynamide

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

Y206-3199

Molecular Formula

C17H12N2OS (C17 H12 N2 OS)

Compound Name

N~1~-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-phenyl-2-propynamide

IUPAC name

N-{3-cyano-4H5H6H-cyclopenta[b]thiophen-2-yl}-3-phenylprop-2-ynamide

SMILES

N#Cc1c(NC(C#Cc2ccccc2)=O)sc2c1CCC2

InChI

InChI=1S/C17H12N2OS/c18-11-14-13-7-4-8-15(13)21-17(14)19-16(20)10-9-12-5-2-1-3-6-12/h1-3,5-6H,4,7-8H2,(H,19,20)

InChI Key

NGHUEQODRIJUAS-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

292.36

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.195

Distribution Coefficient, logD

3.586

Water Solubility, LogSw

-4.44

Polar Surface Area

40.253

Acid Dissociation Constant (pKa)

6.91

Base Dissociation Constant (pKb)

-6.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.65

Y206-3199 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y206-3199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y206-3199?
Check Price and Availability of Y206-3199, 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 Y206-3199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y206-3199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y206-3199
  • 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 Y206-3199 available by request