F579-0151 Screening compound: 1-[6-(4-butoxyphenyl)-3-(butylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]-1-ethanone

F579-0151 Screening compound: 1-[6-(4-butoxyphenyl)-3-(butylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]-1-ethanone
F579-0151 Screening compound: 1-[6-(4-butoxyphenyl)-3-(butylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound F579-0151
1-[6-(4-butoxyphenyl)-3-(butylsulfanyl)[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

F579-0151

Molecular Formula

C26H30N4O3S (C26 H30 N4 O3 S)

Compound Name

1-[6-(4-butoxyphenyl)-3-(butylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]-1-ethanone

IUPAC name

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

SMILES

CCCCOc1ccc(C2Oc3nc(SCCCC)nnc3-c(cccc3)c3N2C(C)=O)cc1

InChI

InChI=1S/C26H30N4O3S/c1-4-6-16-32-20-14-12-19(13-15-20)25-30(18(3)31)22-11-9-8-10-21(22)23-24(33-25)27-26(29-28-23)34-17-7-5-2/h8-15,25H,4-7,16-17H2,1-3H3/t25-/m0/s1

InChI Key

VQYWZNAXLMYSEU-VWLOTQADSA-N

MDL Number (MFCD)

MFCD14959617

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.037

Distribution Coefficient, logD

6.037

Water Solubility, LogSw

-5.54

Polar Surface Area

62.057

Acid Dissociation Constant (pKa)

20.35

Base Dissociation Constant (pKb)

-1.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

F579-0151 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 F579-0151 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F579-0151?
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What is the minimum amount of F579-0151 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F579-0151
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F579-0151
  • 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 F579-0151 available by request