8015-5595 Screening compound: 2,6-diamino-4-[3-(trifluoromethyl)phenyl]-4H-thiopyran-3,5-dicarbonitrile

8015-5595 Screening compound: 2,6-diamino-4-[3-(trifluoromethyl)phenyl]-4H-thiopyran-3,5-dicarbonitrile
8015-5595 Screening compound: 2,6-diamino-4-[3-(trifluoromethyl)phenyl]-4H-thiopyran-3,5-dicarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-5595
2,6-diamino-4-[3-(trifluoromethyl)phenyl]-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

8015-5595

Molecular Formula

C14H9F3N4S (C14 H9 F3 N4 S)

Compound Name

2,6-diamino-4-[3-(trifluoromethyl)phenyl]-4H-thiopyran-3,5-dicarbonitrile

IUPAC name

26-diamino-4-[3-(trifluoromethyl)phenyl]-4H-thiopyran-35-dicarbonitrile

SMILES

NC(SC(N)=C(C1c2cc(C(F)(F)F)ccc2)C#N)=C1C#N

InChI

InChI=1S/C14H9F3N4S/c15-14(16,17)8-3-1-2-7(4-8)11-9(5-18)12(20)22-13(21)10(11)6-19/h1-4,11H,20-21H2

InChI Key

ZBXUNOIEPSKOFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00848599

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.31

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.384

Distribution Coefficient, logD

2.384

Water Solubility, LogSw

-2.36

Polar Surface Area

74.422

Acid Dissociation Constant (pKa)

12.92

Base Dissociation Constant (pKb)

-4.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.29

8015-5595 in Drug Discovery

Included in Screening Libraries

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

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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 8015-5595 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-5595?
Check Price and Availability of 8015-5595, 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 8015-5595 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-5595
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-5595
  • 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 8015-5595 available by request