7809-0302 Screening compound: 3-(allylsulfanyl)-10-bromo-6-methyl[1,2,4]triazino[5,6-d][3,1]benzoxazepine

7809-0302 Screening compound: 3-(allylsulfanyl)-10-bromo-6-methyl[1,2,4]triazino[5,6-d][3,1]benzoxazepine
7809-0302 Screening compound: 3-(allylsulfanyl)-10-bromo-6-methyl[1,2,4]triazino[5,6-d][3,1]benzoxazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound 7809-0302
3-(allylsulfanyl)-10-bromo-6-methyl[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

7809-0302

Molecular Formula

C14H11BrN4OS (C14 H11 BrN4 OS)

Compound Name

3-(allylsulfanyl)-10-bromo-6-methyl[1,2,4]triazino[5,6-d][3,1]benzoxazepine

IUPAC name

14-bromo-9-methyl-5-(prop-2-en-1-ylsulfanyl)-8-oxa-34610-tetraazatricyclo[9.4.0.0^{27}]pentadeca-1(11)2(7)3591214-heptaene

SMILES

CC(Oc1n2)=Nc(ccc(Br)c3)c3-c1nnc2SCC=C

InChI

InChI=1S/C14H11BrN4OS/c1-3-6-21-14-17-13-12(18-19-14)10-7-9(15)4-5-11(10)16-8(2)20-13/h3-5,7H,1,6H2,2H3

InChI Key

PXKFTWFDFUVUAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05994544

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.24

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.645

Distribution Coefficient, logD

3.645

Water Solubility, LogSw

-4.03

Polar Surface Area

48.102

Acid Dissociation Constant (pKa)

23.98

Base Dissociation Constant (pKb)

1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

7809-0302 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 7809-0302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7809-0302?
Check Price and Availability of 7809-0302, 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 7809-0302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7809-0302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7809-0302
  • 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 7809-0302 available by request