G786-0757 Screening compound: 3-(2-methylphenyl)-1-phenyl-3-({5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}methyl)urea

G786-0757 Screening compound: 3-(2-methylphenyl)-1-phenyl-3-({5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}methyl)urea
G786-0757 Screening compound: 3-(2-methylphenyl)-1-phenyl-3-({5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}methyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-0757
3-(2-methylphenyl)-1-phenyl-3-({5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}methyl)urea

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

G786-0757

Molecular Formula

C22H25N5O (C22 H25 N5 O)

Compound Name

3-(2-methylphenyl)-1-phenyl-3-({5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}methyl)urea

IUPAC name

3-(2-methylphenyl)-1-phenyl-3-({5H6H7H8H9H-[124]triazolo[43-a]azepin-3-yl}methyl)urea

SMILES

Cc(cccc1)c1N(Cc1nnc2n1CCCCC2)C(Nc1ccccc1)=O

InChI

InChI=1S/C22H25N5O/c1-17-10-7-8-13-19(17)27(22(28)23-18-11-4-2-5-12-18)16-21-25-24-20-14-6-3-9-15-26(20)21/h2,4-5,7-8,10-13H,3,6,9,14-16H2,1H3,(H,23,28)

InChI Key

FGFDOGNADXENRP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03959051

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.560

Distribution Coefficient, logD

3.560

Water Solubility, LogSw

-3.62

Polar Surface Area

50.381

Acid Dissociation Constant (pKa)

13.35

Base Dissociation Constant (pKb)

2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

G786-0757 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Recognition Elements PPI Library (24135 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with G786-0757 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-0757?
Check Price and Availability of G786-0757, 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 G786-0757 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-0757
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-0757
  • 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 G786-0757 available by request