7809-0281 Screening compound: 10-bromo-3-(ethylsulfanyl)-6-methyl[1,2,4]triazino[5,6-d][3,1]benzoxazepine

7809-0281 Screening compound: 10-bromo-3-(ethylsulfanyl)-6-methyl[1,2,4]triazino[5,6-d][3,1]benzoxazepine
7809-0281 Screening compound: 10-bromo-3-(ethylsulfanyl)-6-methyl[1,2,4]triazino[5,6-d][3,1]benzoxazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound 7809-0281
10-bromo-3-(ethylsulfanyl)-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

7809-0281

Molecular Formula

C13H11BrN4OS (C13 H11 BrN4 OS)

Compound Name

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

IUPAC name

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

SMILES

CCSc1nnc(-c(cc(cc2)Br)c2N=C(C)O2)c2n1

InChI

InChI=1S/C13H11BrN4OS/c1-3-20-13-16-12-11(17-18-13)9-6-8(14)4-5-10(9)15-7(2)19-12/h4-6H,3H2,1-2H3

InChI Key

QPBGEAKPQNJELY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13370983

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.23

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.386

Distribution Coefficient, logD

3.386

Water Solubility, LogSw

-3.89

Polar Surface Area

48.102

Acid Dissociation Constant (pKa)

23.51

Base Dissociation Constant (pKb)

1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

7809-0281 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Akt-Targeted Library (14764 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

References: we are preparing a list of scientific research reports with 7809-0281 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7809-0281?
Check Price and Availability of 7809-0281, 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 7809-0281 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7809-0281
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7809-0281
  • 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 7809-0281 available by request