6188-0184 Screening compound: 1-[6-(5-methyl-2-thienyl)-3-(propylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]-1-ethanone

6188-0184 Screening compound: 1-[6-(5-methyl-2-thienyl)-3-(propylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]-1-ethanone
6188-0184 Screening compound: 1-[6-(5-methyl-2-thienyl)-3-(propylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 6188-0184
1-[6-(5-methyl-2-thienyl)-3-(propylsulfanyl)[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

6188-0184

Molecular Formula

C20H20N4O2S2 (C20 H20 N4 O2 S2)

Compound Name

1-[6-(5-methyl-2-thienyl)-3-(propylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]-1-ethanone

IUPAC name

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

SMILES

CCCSc1nnc(-c(cccc2)c2N(C(c2ccc(C)s2)O2)C(C)=O)c2n1

InChI

InChI=1S/C20H20N4O2S2/c1-4-11-27-20-21-18-17(22-23-20)14-7-5-6-8-15(14)24(13(3)25)19(26-18)16-10-9-12(2)28-16/h5-10,19H,4,11H2,1-3H3/t19-/m0/s1

InChI Key

UGWCAVURUATSPW-IBGZPJMESA-N

MDL Number (MFCD)

MFCD03718070

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.222

Distribution Coefficient, logD

4.222

Water Solubility, LogSw

-4.37

Polar Surface Area

55.657

Acid Dissociation Constant (pKa)

22.04

Base Dissociation Constant (pKb)

-1.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

6188-0184 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 6188-0184 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6188-0184?
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What is the minimum amount of 6188-0184 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6188-0184
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6188-0184
  • 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 6188-0184 available by request