G786-0722 Screening compound: 5-chloro-2-methyl-N-({5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}methyl)aniline

G786-0722 Screening compound: 5-chloro-2-methyl-N-({5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}methyl)aniline
G786-0722 Screening compound: 5-chloro-2-methyl-N-({5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}methyl)aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-0722
5-chloro-2-methyl-N-({5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}methyl)aniline

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

G786-0722

Molecular Formula

C15H19ClN4 (C15 H19 ClN4)

Compound Name

5-chloro-2-methyl-N-({5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}methyl)aniline

IUPAC name

5-chloro-2-methyl-N-({5H6H7H8H9H-[124]triazolo[43-a]azepin-3-yl}methyl)aniline

SMILES

Cc(ccc(Cl)c1)c1NCc1nnc2n1CCCCC2

InChI

InChI=1S/C15H19ClN4/c1-11-6-7-12(16)9-13(11)17-10-15-19-18-14-5-3-2-4-8-20(14)15/h6-7,9,17H,2-5,8,10H2,1H3

InChI Key

XCSUQDJOLFKVCF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06747856

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

290.8

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.781

Distribution Coefficient, logD

2.781

Water Solubility, LogSw

-3.43

Polar Surface Area

36.047

Acid Dissociation Constant (pKa)

18.67

Base Dissociation Constant (pKb)

3.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.70

G786-0722 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • Epigenetic
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with G786-0722 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-0722?
Check Price and Availability of G786-0722, 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 G786-0722 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-0722
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-0722
  • 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 G786-0722 available by request