1109-0016 Screening compound: 2-[(Z)-(2-{8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}hydrazin-1-ylidene)methyl]phenol

1109-0016 Screening compound: 2-[(Z)-(2-{8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}hydrazin-1-ylidene)methyl]phenol
1109-0016 Screening compound: 2-[(Z)-(2-{8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}hydrazin-1-ylidene)methyl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 1109-0016
2-[(Z)-(2-{8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}hydrazin-1-ylidene)methyl]phenol

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

1109-0016

Molecular Formula

C17H13BrN6O (C17 H13 BrN6 O)

Compound Name

2-[(Z)-(2-{8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}hydrazin-1-ylidene)methyl]phenol

IUPAC name

2-[(Z)-(2-{8-bromo-5-methyl-5H-[124]triazino[56-b]indol-3-yl}hydrazin-1-ylidene)methyl]phenol

SMILES

Cn1c2nc(N/N=C\c(cccc3)c3O)nnc2c2c1ccc(Br)c2

InChI

InChI=1S/C17H13BrN6O/c1-24-13-7-6-11(18)8-12(13)15-16(24)20-17(23-21-15)22-19-9-10-4-2-3-5-14(10)25/h2-9,25H,1H3,(H,20,22,23)

InChI Key

GETBZFHRGWAXDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00806970

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.23

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.054

Distribution Coefficient, logD

4.046

Water Solubility, LogSw

-3.64

Polar Surface Area

74.157

Acid Dissociation Constant (pKa)

9.50

Base Dissociation Constant (pKb)

5.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

1109-0016 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1109-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1109-0016?
Check Price and Availability of 1109-0016, 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 1109-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1109-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1109-0016
  • 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 1109-0016 available by request