F579-3890 Screening compound: 1-[6-(2-chlorophenyl)-10-fluoro-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]-1-ethanone

F579-3890 Screening compound: 1-[6-(2-chlorophenyl)-10-fluoro-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]-1-ethanone
F579-3890 Screening compound: 1-[6-(2-chlorophenyl)-10-fluoro-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound F579-3890
1-[6-(2-chlorophenyl)-10-fluoro-3-(methylsulfanyl)[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

F579-3890

Molecular Formula

C19H14ClFN4O2S (C19 H14 ClFN4 O2 S)

Compound Name

1-[6-(2-chlorophenyl)-10-fluoro-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]-1-ethanone

IUPAC name

1-[9-(2-chlorophenyl)-14-fluoro-5-(methylsulfanyl)-8-oxa-34610-tetraazatricyclo[9.4.0.0^{27}]pentadeca-1(15)2(7)351113-hexaen-10-yl]ethan-1-one

SMILES

CC(N(C(c(cccc1)c1Cl)Oc1n2)c(ccc(F)c3)c3-c1nnc2SC)=O

InChI

InChI=1S/C19H14ClFN4O2S/c1-10(26)25-15-8-7-11(21)9-13(15)16-17(22-19(28-2)24-23-16)27-18(25)12-5-3-4-6-14(12)20/h3-9,18H,1-2H3/t18-/m0/s1

InChI Key

JRMONIYQZYMJLX-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14959959

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.86

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.045

Distribution Coefficient, logD

4.045

Water Solubility, LogSw

-4.33

Polar Surface Area

54.639

Acid Dissociation Constant (pKa)

19.96

Base Dissociation Constant (pKb)

-1.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.80

F579-3890 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F579-3890 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F579-3890?
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What is the minimum amount of F579-3890 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F579-3890
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F579-3890
  • 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 F579-3890 available by request