6188-0186 Screening compound: 1-[3-(ethylsulfanyl)-6-[5-(4-fluorophenyl)-2-furyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]-1-ethanone

6188-0186 Screening compound: 1-[3-(ethylsulfanyl)-6-[5-(4-fluorophenyl)-2-furyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]-1-ethanone
6188-0186 Screening compound: 1-[3-(ethylsulfanyl)-6-[5-(4-fluorophenyl)-2-furyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 6188-0186
1-[3-(ethylsulfanyl)-6-[5-(4-fluorophenyl)-2-furyl][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

6188-0186

Molecular Formula

C24H19FN4O3S (C24 H19 FN4 O3 S)

Compound Name

1-[3-(ethylsulfanyl)-6-[5-(4-fluorophenyl)-2-furyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]-1-ethanone

IUPAC name

1-[5-(ethylsulfanyl)-9-[5-(4-fluorophenyl)furan-2-yl]-8-oxa-34610-tetraazatricyclo[9.4.0.0^{27}]pentadeca-1(11)2(7)351214-hexaen-10-yl]ethan-1-one

SMILES

CCSc1nnc(-c(cccc2)c2N(C(c2ccc(-c(cc3)ccc3F)o2)O2)C(C)=O)c2n1

InChI

InChI=1S/C24H19FN4O3S/c1-3-33-24-26-22-21(27-28-24)17-6-4-5-7-18(17)29(14(2)30)23(32-22)20-13-12-19(31-20)15-8-10-16(25)11-9-15/h4-13,23H,3H2,1-2H3/t23-/m0/s1

InChI Key

MTIWLKJJADBBJP-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD03717726

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.786

Distribution Coefficient, logD

4.786

Water Solubility, LogSw

-4.67

Polar Surface Area

63.038

Acid Dissociation Constant (pKa)

22.04

Base Dissociation Constant (pKb)

-0.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

6188-0186 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 6188-0186 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6188-0186?
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What is the minimum amount of 6188-0186 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6188-0186
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6188-0186
  • 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 6188-0186 available by request