F579-0737 Screening compound: 1-[6-(2,5-dimethoxyphenyl)-3-(isobutylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]-1-propanone

F579-0737 Screening compound: 1-[6-(2,5-dimethoxyphenyl)-3-(isobutylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]-1-propanone
F579-0737 Screening compound: 1-[6-(2,5-dimethoxyphenyl)-3-(isobutylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound F579-0737
1-[6-(2,5-dimethoxyphenyl)-3-(isobutylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]-1-propanone

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

F579-0737

Molecular Formula

C25H28N4O4S (C25 H28 N4 O4 S)

Compound Name

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

IUPAC name

1-[9-(25-dimethoxyphenyl)-5-[(2-methylpropyl)sulfanyl]-8-oxa-34610-tetraazatricyclo[9.4.0.0^{27}]pentadeca-1(15)2(7)351113-hexaen-10-yl]propan-1-one

SMILES

CCC(N(C(c(cc(cc1)OC)c1OC)Oc1n2)c(cccc3)c3-c1nnc2SCC(C)C)=O

InChI

InChI=1S/C25H28N4O4S/c1-6-21(30)29-19-10-8-7-9-17(19)22-23(26-25(28-27-22)34-14-15(2)3)33-24(29)18-13-16(31-4)11-12-20(18)32-5/h7-13,15,24H,6,14H2,1-5H3/t24-/m0/s1

InChI Key

RVNJZCRWEISSMK-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD14959694

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.089

Distribution Coefficient, logD

5.089

Water Solubility, LogSw

-4.88

Polar Surface Area

68.818

Acid Dissociation Constant (pKa)

20.93

Base Dissociation Constant (pKb)

-2.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

F579-0737 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 F579-0737 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F579-0737?
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What is the minimum amount of F579-0737 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F579-0737
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F579-0737
  • 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 F579-0737 available by request