6188-0102 Screening compound: 2-fluorobenzyl {6-[(E)-2-(2-furyl)-1-ethenyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-3-yl} sulfide

6188-0102 Screening compound: 2-fluorobenzyl {6-[(E)-2-(2-furyl)-1-ethenyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-3-yl} sulfide
6188-0102 Screening compound: 2-fluorobenzyl {6-[(E)-2-(2-furyl)-1-ethenyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-3-yl} sulfide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6188-0102
2-fluorobenzyl {6-[(E)-2-(2-furyl)-1-ethenyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-3-yl} sulfide

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

6188-0102

Molecular Formula

C23H17FN4O2S (C23 H17 FN4 O2 S)

Compound Name

2-fluorobenzyl {6-[(E)-2-(2-furyl)-1-ethenyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-3-yl} sulfide

IUPAC name

5-{[(2-fluorophenyl)methyl]sulfanyl}-9-[(1E)-2-(furan-2-yl)ethenyl]-8-oxa-34610-tetraazatricyclo[9.4.0.0^{27}]pentadeca-1(11)2(7)351214-hexaene

SMILES

Fc1c(CSc2nnc(-c(cccc3)c3NC(/C=C/c3ccco3)O3)c3n2)cccc1

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.032

Distribution Coefficient, logD

5.032

Water Solubility, LogSw

-4.86

Polar Surface Area

60.123

Acid Dissociation Constant (pKa)

18.74

Base Dissociation Constant (pKb)

-0.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.70

6188-0102 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 6188-0102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6188-0102?
Check Price and Availability of 6188-0102, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 6188-0102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6188-0102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6188-0102
  • 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 6188-0102 available by request