F579-4263 Screening compound: 1-[3-(isopentylsulfanyl)-10-methyl-6-[4-(trifluoromethyl)phenyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]-1-propanone

F579-4263 Screening compound: 1-[3-(isopentylsulfanyl)-10-methyl-6-[4-(trifluoromethyl)phenyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]-1-propanone
F579-4263 Screening compound: 1-[3-(isopentylsulfanyl)-10-methyl-6-[4-(trifluoromethyl)phenyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound F579-4263
1-[3-(isopentylsulfanyl)-10-methyl-6-[4-(trifluoromethyl)phenyl][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

F579-4263

Molecular Formula

C26H27F3N4O2S (C26 H27 F3 N4 O2 S)

Compound Name

1-[3-(isopentylsulfanyl)-10-methyl-6-[4-(trifluoromethyl)phenyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]-1-propanone

IUPAC name

1-{14-methyl-5-[(3-methylbutyl)sulfanyl]-9-[4-(trifluoromethyl)phenyl]-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(c1ccc(C(F)(F)F)cc1)Oc1n2)c(ccc(C)c3)c3-c1nnc2SCCC(C)C)=O

InChI

InChI=1S/C26H27F3N4O2S/c1-5-21(34)33-20-11-6-16(4)14-19(20)22-23(30-25(32-31-22)36-13-12-15(2)3)35-24(33)17-7-9-18(10-8-17)26(27,28)29/h6-11,14-15,24H,5,12-13H2,1-4H3/t24-/m0/s1

InChI Key

NWZXZZROAPULQI-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD14959978

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.582

Distribution Coefficient, logD

6.582

Water Solubility, LogSw

-5.62

Polar Surface Area

53.644

Acid Dissociation Constant (pKa)

20.93

Base Dissociation Constant (pKb)

-0.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

F579-4263 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F579-4263 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F579-4263?
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What is the minimum amount of F579-4263 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F579-4263
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F579-4263
  • 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 F579-4263 available by request