7033-0640 Screening compound: 10-bromo-3-(propylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepine

7033-0640 Screening compound: 10-bromo-3-(propylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepine
7033-0640 Screening compound: 10-bromo-3-(propylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound 7033-0640
10-bromo-3-(propylsulfanyl)[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

7033-0640

Molecular Formula

C13H11BrN4OS (C13 H11 BrN4 OS)

Compound Name

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

IUPAC name

14-bromo-5-(propylsulfanyl)-8-oxa-34610-tetraazatricyclo[9.4.0.0^{27}]pentadeca-1(15)2(7)3591113-heptaene

SMILES

CCCSc1nnc(-c(cc(cc2)Br)c2N=CO2)c2n1

InChI

InChI=1S/C13H11BrN4OS/c1-2-5-20-13-16-12-11(17-18-13)9-6-8(14)3-4-10(9)15-7-19-12/h3-4,6-7H,2,5H2,1H3

InChI Key

VXIWNOIXMSGEDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14712239

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

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.431

Distribution Coefficient, logD

3.431

Water Solubility, LogSw

-3.84

Polar Surface Area

50.281

Acid Dissociation Constant (pKa)

23.87

Base Dissociation Constant (pKb)

1.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

7033-0640 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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 7033-0640 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7033-0640?
Check Price and Availability of 7033-0640, 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 7033-0640 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7033-0640
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7033-0640
  • 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 7033-0640 available by request