1109-0037 Screening compound: (1Z)-1-[(2Z)-2-bromo-3-phenylprop-2-en-1-ylidene]-2-{5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}hydrazine

1109-0037 Screening compound: (1Z)-1-[(2Z)-2-bromo-3-phenylprop-2-en-1-ylidene]-2-{5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}hydrazine
1109-0037 Screening compound: (1Z)-1-[(2Z)-2-bromo-3-phenylprop-2-en-1-ylidene]-2-{5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}hydrazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1109-0037
(1Z)-1-[(2Z)-2-bromo-3-phenylprop-2-en-1-ylidene]-2-{5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}hydrazine

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

1109-0037

Molecular Formula

C20H17BrN6 (C20 H17 BrN6)

Compound Name

(1Z)-1-[(2Z)-2-bromo-3-phenylprop-2-en-1-ylidene]-2-{5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}hydrazine

IUPAC name

(1Z)-1-[(2Z)-2-bromo-3-phenylprop-2-en-1-ylidene]-2-{5-ethyl-5H-[124]triazino[56-b]indol-3-yl}hydrazine

SMILES

CCn1c2nc(N/N=C\C(\Br)=C\c3ccccc3)nnc2c2c1cccc2

InChI

InChI=1S/C20H17BrN6/c1-2-27-17-11-7-6-10-16(17)18-19(27)23-20(26-24-18)25-22-13-15(21)12-14-8-4-3-5-9-14/h3-13H,2H2,1H3,(H,23,25,26)

InChI Key

PHDIQWRBRBVDJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01536476

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.223

Distribution Coefficient, logD

5.223

Water Solubility, LogSw

-5.53

Polar Surface Area

56.524

Acid Dissociation Constant (pKa)

12.57

Base Dissociation Constant (pKb)

2.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

1109-0037 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 1109-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1109-0037?
Check Price and Availability of 1109-0037, 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 1109-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1109-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1109-0037
  • 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 1109-0037 available by request