F579-4663 Screening compound: 1-[10-chloro-6-(2,5-dimethoxyphenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]-1-butanone

F579-4663 Screening compound: 1-[10-chloro-6-(2,5-dimethoxyphenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]-1-butanone
F579-4663 Screening compound: 1-[10-chloro-6-(2,5-dimethoxyphenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]-1-butanone alternative view

Chemical Structure Depiction of ChemDiv screening compound F579-4663
1-[10-chloro-6-(2,5-dimethoxyphenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]-1-butanone

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

F579-4663

Molecular Formula

C23H23ClN4O4S (C23 H23 ClN4 O4 S)

Compound Name

1-[10-chloro-6-(2,5-dimethoxyphenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]-1-butanone

IUPAC name

1-[14-chloro-9-(25-dimethoxyphenyl)-5-(methylsulfanyl)-8-oxa-34610-tetraazatricyclo[9.4.0.0^{27}]pentadeca-1(15)2(7)351113-hexaen-10-yl]butan-1-one

SMILES

CCCC(N(C(c(cc(cc1)OC)c1OC)Oc1n2)c(ccc(Cl)c3)c3-c1nnc2SC)=O

InChI

InChI=1S/C23H23ClN4O4S/c1-5-6-19(29)28-17-9-7-13(24)11-15(17)20-21(25-23(33-4)27-26-20)32-22(28)16-12-14(30-2)8-10-18(16)31-3/h7-12,22H,5-6H2,1-4H3/t22-/m1/s1

InChI Key

JFPWLBUPNJKBIJ-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD14960042

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.98

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.265

Distribution Coefficient, logD

5.265

Water Solubility, LogSw

-5.64

Polar Surface Area

68.818

Acid Dissociation Constant (pKa)

20.54

Base Dissociation Constant (pKb)

-0.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

F579-4663 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 F579-4663 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F579-4663?
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What is the minimum amount of F579-4663 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F579-4663
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F579-4663
  • 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 F579-4663 available by request