F579-1675 Screening compound: 2-[7-acetyl-3-(isobutylsulfanyl)-10-methyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzonitrile

F579-1675 Screening compound: 2-[7-acetyl-3-(isobutylsulfanyl)-10-methyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzonitrile
F579-1675 Screening compound: 2-[7-acetyl-3-(isobutylsulfanyl)-10-methyl-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 F579-1675
2-[7-acetyl-3-(isobutylsulfanyl)-10-methyl-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

F579-1675

Molecular Formula

C24H23N5O2S (C24 H23 N5 O2 S)

Compound Name

2-[7-acetyl-3-(isobutylsulfanyl)-10-methyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzonitrile

IUPAC name

2-{10-acetyl-14-methyl-5-[(2-methylpropyl)sulfanyl]-8-oxa-34610-tetraazatricyclo[9.4.0.0^{27}]pentadeca-1(15)2(7)351113-hexaen-9-yl}benzonitrile

SMILES

CC(C)CSc1nnc(-c(cc(C)cc2)c2N(C(c(cccc2)c2C#N)O2)C(C)=O)c2n1

InChI

InChI=1S/C24H23N5O2S/c1-14(2)13-32-24-26-22-21(27-28-24)19-11-15(3)9-10-20(19)29(16(4)30)23(31-22)18-8-6-5-7-17(18)12-25/h5-11,14,23H,13H2,1-4H3/t23-/m0/s1

InChI Key

VWTYSCIEDPMBNI-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14959810

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

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.510

Distribution Coefficient, logD

4.510

Water Solubility, LogSw

-4.45

Polar Surface Area

71.695

Acid Dissociation Constant (pKa)

20.35

Base Dissociation Constant (pKb)

-1.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

F579-1675 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 F579-1675 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F579-1675?
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What is the minimum amount of F579-1675 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F579-1675
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F579-1675
  • 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 F579-1675 available by request