8640-0074 Screening compound: 2-amino-5-propyl-4H,5H,7H-thieno[2,3-c]pyran-3-carbonitrile

8640-0074 Screening compound: 2-amino-5-propyl-4H,5H,7H-thieno[2,3-c]pyran-3-carbonitrile
8640-0074 Screening compound: 2-amino-5-propyl-4H,5H,7H-thieno[2,3-c]pyran-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8640-0074
2-amino-5-propyl-4H,5H,7H-thieno[2,3-c]pyran-3-carbonitrile

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

8640-0074

Molecular Formula

C11H14N2OS (C11 H14 N2 OS)

Compound Name

2-amino-5-propyl-4H,5H,7H-thieno[2,3-c]pyran-3-carbonitrile

IUPAC name

2-amino-5-propyl-4H5H7H-thieno[23-c]pyran-3-carbonitrile

SMILES

CCCC(C1)OCc2c1c(C#N)c(N)s2

InChI

InChI=1S/C11H14N2OS/c1-2-3-7-4-8-9(5-12)11(13)15-10(8)6-14-7/h7H,2-4,6,13H2,1H3/t7-/m1/s1

InChI Key

FGTHHTWHWXEGFI-SSDOTTSWSA-N

MDL Number (MFCD)

MFCD03675056

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

222.31

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.381

Distribution Coefficient, logD

2.381

Water Solubility, LogSw

-2.23

Polar Surface Area

47.086

Acid Dissociation Constant (pKa)

15.97

Base Dissociation Constant (pKb)

-1.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.50

8640-0074 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Dark Chemical Matter Library (18430 compounds)

Fragments Library (11262 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
  • Fragments
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8640-0074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8640-0074?
Check Price and Availability of 8640-0074, 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 8640-0074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8640-0074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8640-0074
  • 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 8640-0074 available by request