8015-9164 Screening compound: 2-[(3-oxo-1-cyclohexenyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-3-yl cyanide

8015-9164 Screening compound: 2-[(3-oxo-1-cyclohexenyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-3-yl cyanide
8015-9164 Screening compound: 2-[(3-oxo-1-cyclohexenyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-3-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-9164
2-[(3-oxo-1-cyclohexenyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-3-yl cyanide

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

8015-9164

Molecular Formula

C17H20N2OS (C17 H20 N2 OS)

Compound Name

2-[(3-oxo-1-cyclohexenyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-3-yl cyanide

IUPAC name

2-[(3-oxocyclohex-1-en-1-yl)amino]-4H5H6H7H8H9H-cycloocta[b]thiophene-3-carbonitrile

SMILES

N#Cc1c(NC(CCC2)=CC2=O)sc2c1CCCCCC2

InChI

InChI=1S/C17H20N2OS/c18-11-15-14-8-3-1-2-4-9-16(14)21-17(15)19-12-6-5-7-13(20)10-12/h10,19H,1-9H2

InChI Key

SJTAZRDIBWXXOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05259171

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.42

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.046

Distribution Coefficient, logD

0.050

Water Solubility, LogSw

-4.27

Polar Surface Area

40.368

Acid Dissociation Constant (pKa)

3.40

Base Dissociation Constant (pKb)

-0.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.94

8015-9164 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8015-9164 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-9164?
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What is the minimum amount of 8015-9164 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-9164
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-9164
  • 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 8015-9164 available by request