F579-0007 Screening compound: 1-[6-(2-bromophenyl)-3-(butylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]-1-propanone

F579-0007 Screening compound: 1-[6-(2-bromophenyl)-3-(butylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]-1-propanone
F579-0007 Screening compound: 1-[6-(2-bromophenyl)-3-(butylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound F579-0007
1-[6-(2-bromophenyl)-3-(butylsulfanyl)[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

F579-0007

Molecular Formula

C23H23BrN4O2S (C23 H23 BrN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCCCSc1nnc(-c(cccc2)c2N(C(c(cccc2)c2Br)O2)C(CC)=O)c2n1

InChI

InChI=1S/C23H23BrN4O2S/c1-3-5-14-31-23-25-21-20(26-27-23)16-11-7-9-13-18(16)28(19(29)4-2)22(30-21)15-10-6-8-12-17(15)24/h6-13,22H,3-5,14H2,1-2H3/t22-/m0/s1

InChI Key

VHKRQEWXGVIEPT-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14959569

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.725

Distribution Coefficient, logD

5.725

Water Solubility, LogSw

-5.43

Polar Surface Area

53.644

Acid Dissociation Constant (pKa)

20.93

Base Dissociation Constant (pKb)

-1.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

F579-0007 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 F579-0007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F579-0007?
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What is the minimum amount of F579-0007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F579-0007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F579-0007
  • 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 F579-0007 available by request