6188-0293 Screening compound: 1-[3-(allylsulfanyl)-6-(2-thienyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]-1-propanone

6188-0293 Screening compound: 1-[3-(allylsulfanyl)-6-(2-thienyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]-1-propanone
6188-0293 Screening compound: 1-[3-(allylsulfanyl)-6-(2-thienyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 6188-0293
1-[3-(allylsulfanyl)-6-(2-thienyl)[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

6188-0293

Molecular Formula

C20H18N4O2S2 (C20 H18 N4 O2 S2)

Compound Name

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

IUPAC name

1-[5-(prop-2-en-1-ylsulfanyl)-9-(thiophen-2-yl)-8-oxa-34610-tetraazatricyclo[9.4.0.0^{27}]pentadeca-1(11)2(7)351214-hexaen-10-yl]propan-1-one

SMILES

CCC(N(C(c1cccs1)Oc1n2)c(cccc3)c3-c1nnc2SCC=C)=O

InChI

InChI=1S/C20H18N4O2S2/c1-3-11-28-20-21-18-17(22-23-20)13-8-5-6-9-14(13)24(16(25)4-2)19(26-18)15-10-7-12-27-15/h3,5-10,12,19H,1,4,11H2,2H3/t19-/m0/s1

InChI Key

LAOARMZZYNMPFE-IBGZPJMESA-N

MDL Number (MFCD)

MFCD03698551

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.997

Distribution Coefficient, logD

3.997

Water Solubility, LogSw

-4.26

Polar Surface Area

54.662

Acid Dissociation Constant (pKa)

21.51

Base Dissociation Constant (pKb)

-1.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

6188-0293 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiparasite Library (23996 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Recognition Elements PPI Library (24135 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with 6188-0293 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6188-0293?
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What is the minimum amount of 6188-0293 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6188-0293
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6188-0293
  • 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 6188-0293 available by request