G786-0754 Screening compound: 1-(4-fluorophenyl)-3-(2-methoxyphenyl)-1-({5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}methyl)urea

G786-0754 Screening compound: 1-(4-fluorophenyl)-3-(2-methoxyphenyl)-1-({5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}methyl)urea
G786-0754 Screening compound: 1-(4-fluorophenyl)-3-(2-methoxyphenyl)-1-({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 G786-0754
1-(4-fluorophenyl)-3-(2-methoxyphenyl)-1-({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

G786-0754

Molecular Formula

C22H24FN5O2 (C22 H24 FN5 O2)

Compound Name

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

IUPAC name

1-(4-fluorophenyl)-3-(2-methoxyphenyl)-1-({5H6H7H8H9H-[124]triazolo[43-a]azepin-3-yl}methyl)urea

SMILES

COc(cccc1)c1NC(N(Cc1nnc2n1CCCCC2)c(cc1)ccc1F)=O

InChI

InChI=1S/C22H24FN5O2/c1-30-19-8-5-4-7-18(19)24-22(29)28(17-12-10-16(23)11-13-17)15-21-26-25-20-9-3-2-6-14-27(20)21/h4-5,7-8,10-13H,2-3,6,9,14-15H2,1H3,(H,24,29)

InChI Key

ABHADCCVFARSQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06747880

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.548

Distribution Coefficient, logD

3.548

Water Solubility, LogSw

-3.66

Polar Surface Area

57.615

Acid Dissociation Constant (pKa)

12.45

Base Dissociation Constant (pKb)

2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

G786-0754 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Protein-Protein Interaction Library (218420 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 G786-0754 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-0754?
Check Price and Availability of G786-0754, 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 G786-0754 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-0754
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-0754
  • 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 G786-0754 available by request