F579-0009 Screening compound: 4-[3-(butylsulfanyl)-7-propionyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzonitrile

F579-0009 Screening compound: 4-[3-(butylsulfanyl)-7-propionyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzonitrile
F579-0009 Screening compound: 4-[3-(butylsulfanyl)-7-propionyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound F579-0009
4-[3-(butylsulfanyl)-7-propionyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzonitrile

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

F579-0009

Molecular Formula

C24H23N5O2S (C24 H23 N5 O2 S)

Compound Name

4-[3-(butylsulfanyl)-7-propionyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzonitrile

IUPAC name

4-[5-(butylsulfanyl)-10-propanoyl-8-oxa-34610-tetraazatricyclo[9.4.0.0^{27}]pentadeca-1(15)2(7)351113-hexaen-9-yl]benzonitrile

SMILES

CCCCSc1nnc(-c(cccc2)c2N(C(c(cc2)ccc2C#N)O2)C(CC)=O)c2n1

InChI

InChI=1S/C24H23N5O2S/c1-3-5-14-32-24-26-22-21(27-28-24)18-8-6-7-9-19(18)29(20(30)4-2)23(31-22)17-12-10-16(15-25)11-13-17/h6-13,23H,3-5,14H2,1-2H3/t23-/m0/s1

InChI Key

NKUZGTZAGUXRPV-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14959570

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.816

Distribution Coefficient, logD

4.816

Water Solubility, LogSw

-4.68

Polar Surface Area

70.700

Acid Dissociation Constant (pKa)

20.93

Base Dissociation Constant (pKb)

-1.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

F579-0009 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 F579-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F579-0009?
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What is the minimum amount of F579-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F579-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F579-0009
  • 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 F579-0009 available by request