6969-0928 Screening compound: 3-(butylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepine

6969-0928 Screening compound: 3-(butylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6969-0928 Screening compound: 3-(butylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6969-0928
3-(butylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepine

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

6969-0928

Molecular Formula

C14H14N4OS (C14 H14 N4 OS)

Compound Name

3-(butylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepine

IUPAC name

5-(butylsulfanyl)-8-oxa-34610-tetraazatricyclo[9.4.0.0^{27}]pentadeca-1(11)2(7)3591214-heptaene

SMILES

CCCCSc1nnc(-c(cccc2)c2N=CO2)c2n1

InChI

InChI=1S/C14H14N4OS/c1-2-3-8-20-14-16-13-12(17-18-14)10-6-4-5-7-11(10)15-9-19-13/h4-7,9H,2-3,8H2,1H3

InChI Key

IVXUMDDLAVITOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03998941

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

286.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.151

Distribution Coefficient, logD

3.151

Water Solubility, LogSw

-3.55

Polar Surface Area

50.281

Acid Dissociation Constant (pKa)

23.58

Base Dissociation Constant (pKb)

1.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

6969-0928 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Dark Chemical Matter Library (18430 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 6969-0928 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6969-0928?
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What is the minimum amount of 6969-0928 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6969-0928
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6969-0928
  • 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 6969-0928 available by request