F579-2238 Screening compound: 1-[6-(2-chloro-6-fluorophenyl)-3-(ethylsulfanyl)-8,10-dimethyl[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]-1-ethanone

F579-2238 Screening compound: 1-[6-(2-chloro-6-fluorophenyl)-3-(ethylsulfanyl)-8,10-dimethyl[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]-1-ethanone
F579-2238 Screening compound: 1-[6-(2-chloro-6-fluorophenyl)-3-(ethylsulfanyl)-8,10-dimethyl[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound F579-2238
1-[6-(2-chloro-6-fluorophenyl)-3-(ethylsulfanyl)-8,10-dimethyl[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]-1-ethanone

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

F579-2238

Molecular Formula

C22H20ClFN4O2S (C22 H20 ClFN4 O2 S)

Compound Name

1-[6-(2-chloro-6-fluorophenyl)-3-(ethylsulfanyl)-8,10-dimethyl[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]-1-ethanone

IUPAC name

1-[9-(2-chloro-6-fluorophenyl)-5-(ethylsulfanyl)-1214-dimethyl-8-oxa-34610-tetraazatricyclo[9.4.0.0^{27}]pentadeca-1(15)2(7)351113-hexaen-10-yl]ethan-1-one

SMILES

CCSc1nnc(-c(cc(C)cc2C)c2N(C(c(c(F)ccc2)c2Cl)O2)C(C)=O)c2n1

InChI

InChI=1S/C22H20ClFN4O2S/c1-5-31-22-25-20-18(26-27-22)14-10-11(2)9-12(3)19(14)28(13(4)29)21(30-20)17-15(23)7-6-8-16(17)24/h6-10,21H,5H2,1-4H3/t21-/m0/s1

InChI Key

ZGLMEOCHLHZQRE-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14959866

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.94

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.168

Distribution Coefficient, logD

5.168

Water Solubility, LogSw

-5.41

Polar Surface Area

55.796

Acid Dissociation Constant (pKa)

20.35

Base Dissociation Constant (pKb)

0.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

F579-2238 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F579-2238 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F579-2238?
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What is the minimum amount of F579-2238 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F579-2238
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F579-2238
  • 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 F579-2238 available by request