F579-0768 Screening compound: 1-[6-(2,4-difluorophenyl)-3-(isobutylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]-1-butanone

F579-0768 Screening compound: 1-[6-(2,4-difluorophenyl)-3-(isobutylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]-1-butanone
F579-0768 Screening compound: 1-[6-(2,4-difluorophenyl)-3-(isobutylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]-1-butanone alternative view

Chemical Structure Depiction of ChemDiv screening compound F579-0768
1-[6-(2,4-difluorophenyl)-3-(isobutylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]-1-butanone

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

F579-0768

Molecular Formula

C24H24F2N4O2S (C24 H24 F2 N4 O2 S)

Compound Name

1-[6-(2,4-difluorophenyl)-3-(isobutylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]-1-butanone

IUPAC name

1-[9-(24-difluorophenyl)-5-[(2-methylpropyl)sulfanyl]-8-oxa-34610-tetraazatricyclo[9.4.0.0^{27}]pentadeca-1(15)2(7)351113-hexaen-10-yl]butan-1-one

SMILES

CCCC(N(C(c(ccc(F)c1)c1F)Oc1n2)c(cccc3)c3-c1nnc2SCC(C)C)=O

InChI

InChI=1S/C24H24F2N4O2S/c1-4-7-20(31)30-19-9-6-5-8-17(19)21-22(27-24(29-28-21)33-13-14(2)3)32-23(30)16-11-10-15(25)12-18(16)26/h5-6,8-12,14,23H,4,7,13H2,1-3H3/t23-/m0/s1

InChI Key

SZCHNEMOLCRGAH-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14959704

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.796

Distribution Coefficient, logD

5.796

Water Solubility, LogSw

-5.50

Polar Surface Area

53.644

Acid Dissociation Constant (pKa)

20.47

Base Dissociation Constant (pKb)

-2.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

F579-0768 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F579-0768 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F579-0768?
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What is the minimum amount of F579-0768 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F579-0768
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F579-0768
  • 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 F579-0768 available by request