8002-4080 Screening compound: 2,6-diamino-4-(2-furyl)-4H-thiopyran-3,5-dicarbonitrile

8002-4080 Screening compound: 2,6-diamino-4-(2-furyl)-4H-thiopyran-3,5-dicarbonitrile
8002-4080 Screening compound: 2,6-diamino-4-(2-furyl)-4H-thiopyran-3,5-dicarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-4080
2,6-diamino-4-(2-furyl)-4H-thiopyran-3,5-dicarbonitrile

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

8002-4080

Molecular Formula

C11H8N4OS (C11 H8 N4 OS)

Compound Name

2,6-diamino-4-(2-furyl)-4H-thiopyran-3,5-dicarbonitrile

IUPAC name

26-diamino-4-(furan-2-yl)-4H-thiopyran-35-dicarbonitrile

SMILES

NC(SC(N)=C(C1c2ccco2)C#N)=C1C#N

InChI

InChI=1S/C11H8N4OS/c12-4-6-9(8-2-1-3-16-8)7(5-13)11(15)17-10(6)14/h1-3,9H,14-15H2

InChI Key

CKVCOHNMMGJPQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00446172

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

244.28

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.773

Distribution Coefficient, logD

0.773

Water Solubility, LogSw

-1.45

Polar Surface Area

83.000

Acid Dissociation Constant (pKa)

12.76

Base Dissociation Constant (pKb)

-3.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.09

8002-4080 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 8002-4080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-4080?
Check Price and Availability of 8002-4080, 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 8002-4080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-4080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-4080
  • 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 8002-4080 available by request