Y205-0864 Screening compound: N~1~-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2,2-dimethylpropanamide

Y205-0864 Screening compound: N~1~-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2,2-dimethylpropanamide
Y205-0864 Screening compound: N~1~-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2,2-dimethylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y205-0864
N~1~-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2,2-dimethylpropanamide

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

Y205-0864

Molecular Formula

C16H22N2OS (C16 H22 N2 OS)

Compound Name

N~1~-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2,2-dimethylpropanamide

IUPAC name

N-{3-cyano-4H5H6H7H8H9H-cycloocta[b]thiophen-2-yl}-22-dimethylpropanamide

SMILES

CC(C)(C)C(Nc(sc1c2CCCCCC1)c2C#N)=O

InChI

InChI=1S/C16H22N2OS/c1-16(2,3)15(19)18-14-12(10-17)11-8-6-4-5-7-9-13(11)20-14/h4-9H2,1-3H3,(H,18,19)

InChI Key

AABSXXIIENKUGJ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

290.43

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.260

Distribution Coefficient, logD

2.649

Water Solubility, LogSw

-4.21

Polar Surface Area

40.703

Acid Dissociation Constant (pKa)

5.80

Base Dissociation Constant (pKb)

-4.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

62.50

Y205-0864 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with Y205-0864 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y205-0864?
Check Price and Availability of Y205-0864, 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 Y205-0864 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y205-0864
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y205-0864
  • 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 Y205-0864 available by request