8012-1209 Screening compound: 2-({[4-amino-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]methyl}sulfanyl)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile

8012-1209 Screening compound: 2-({[4-amino-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]methyl}sulfanyl)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
8012-1209 Screening compound: 2-({[4-amino-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]methyl}sulfanyl)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-1209
2-({[4-amino-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]methyl}sulfanyl)-6-phenyl-4-(trifluoromethyl)pyridine-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

8012-1209

Molecular Formula

C21H18F3N7OS (C21 H18 F3 N7 OS)

Compound Name

2-({[4-amino-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]methyl}sulfanyl)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile

IUPAC name

2-({[4-amino-6-(morpholin-4-yl)-135-triazin-2-yl]methyl}sulfanyl)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile

SMILES

Nc1nc(CSc2nc(-c3ccccc3)cc(C(F)(F)F)c2C#N)nc(N2CCOCC2)n1

InChI

InChI=1S/C21H18F3N7OS/c22-21(23,24)15-10-16(13-4-2-1-3-5-13)27-18(14(15)11-25)33-12-17-28-19(26)30-20(29-17)31-6-8-32-9-7-31/h1-5,10H,6-9,12H2,(H2,26,28,29,30)

InChI Key

VIHTXBKUDUEVTB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03035693

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.708

Distribution Coefficient, logD

4.708

Water Solubility, LogSw

-4.76

Polar Surface Area

87.110

Acid Dissociation Constant (pKa)

17.34

Base Dissociation Constant (pKb)

2.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

8012-1209 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Autophagy-Targeted Library (4564 compounds)

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

Human Proteases Annotated Library (2868 compounds)

PI3K-Targeted Library (17255 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
Targets:
  • Kinases
  • Ion Channels
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8012-1209 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-1209?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-1209
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-1209
  • 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 8012-1209 available by request