6188-0304 Screening compound: 3-[3-(allylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-4-bromophenyl methyl ether

6188-0304 Screening compound: 3-[3-(allylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-4-bromophenyl methyl ether
6188-0304 Screening compound: 3-[3-(allylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-4-bromophenyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 6188-0304
3-[3-(allylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-4-bromophenyl methyl ether

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

6188-0304

Molecular Formula

C20H17BrN4O2S (C20 H17 BrN4 O2 S)

Compound Name

3-[3-(allylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-4-bromophenyl methyl ether

IUPAC name

9-(2-bromo-5-methoxyphenyl)-5-(prop-2-en-1-ylsulfanyl)-8-oxa-34610-tetraazatricyclo[9.4.0.0^{27}]pentadeca-1(11)2(7)351214-hexaene

SMILES

COc(cc1)cc(C2Oc3nc(SCC=C)nnc3-c(cccc3)c3N2)c1Br

InChI

InChI=1S/C20H17BrN4O2S/c1-3-10-28-20-23-19-17(24-25-20)13-6-4-5-7-16(13)22-18(27-19)14-11-12(26-2)8-9-15(14)21/h3-9,11,18,22H,1,10H2,2H3/t18-/m0/s1

InChI Key

WIYAQPDEFGKOQA-SFHVURJKSA-N

MDL Number (MFCD)

MFCD02378385

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.35

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

5.043

Distribution Coefficient, logD

5.043

Water Solubility, LogSw

-4.71

Polar Surface Area

59.841

Acid Dissociation Constant (pKa)

18.19

Base Dissociation Constant (pKb)

-0.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.00

6188-0304 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 6188-0304 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6188-0304?
Check Price and Availability of 6188-0304, 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 6188-0304 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6188-0304
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6188-0304
  • 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 6188-0304 available by request