F579-2434 Screening compound: 1-[6-(2-furyl)-3-(isobutylsulfanyl)-8,10-dimethyl[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]-1-ethanone

F579-2434 Screening compound: 1-[6-(2-furyl)-3-(isobutylsulfanyl)-8,10-dimethyl[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]-1-ethanone
F579-2434 Screening compound: 1-[6-(2-furyl)-3-(isobutylsulfanyl)-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 F579-2434
1-[6-(2-furyl)-3-(isobutylsulfanyl)-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

F579-2434

Molecular Formula

C22H24N4O3S (C22 H24 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CSc1nnc(-c(cc(C)cc2C)c2N(C(c2ccco2)O2)C(C)=O)c2n1

InChI

InChI=1S/C22H24N4O3S/c1-12(2)11-30-22-23-20-18(24-25-22)16-10-13(3)9-14(4)19(16)26(15(5)27)21(29-20)17-7-6-8-28-17/h6-10,12,21H,11H2,1-5H3/t21-/m0/s1

InChI Key

HONMBPPKWHNIHZ-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14959901

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.786

Distribution Coefficient, logD

4.786

Water Solubility, LogSw

-4.61

Polar Surface Area

64.375

Acid Dissociation Constant (pKa)

22.04

Base Dissociation Constant (pKb)

-0.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

F579-2434 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 F579-2434 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F579-2434?
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What is the minimum amount of F579-2434 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F579-2434
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F579-2434
  • 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 F579-2434 available by request