G786-0665 Screening compound: 3-(3-methoxyphenyl)-1-phenyl-1-({5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}methyl)urea

G786-0665 Screening compound: 3-(3-methoxyphenyl)-1-phenyl-1-({5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}methyl)urea
G786-0665 Screening compound: 3-(3-methoxyphenyl)-1-phenyl-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 G786-0665
3-(3-methoxyphenyl)-1-phenyl-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

G786-0665

Molecular Formula

C22H25N5O2 (C22 H25 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(NC(N(Cc2nnc3n2CCCCC3)c2ccccc2)=O)c1

InChI

InChI=1S/C22H25N5O2/c1-29-19-12-8-9-17(15-19)23-22(28)27(18-10-4-2-5-11-18)16-21-25-24-20-13-6-3-7-14-26(20)21/h2,4-5,8-12,15H,3,6-7,13-14,16H2,1H3,(H,23,28)

InChI Key

HKYWCDJRJSBDQV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06747818

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.47

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

3.314

Distribution Coefficient, logD

3.314

Water Solubility, LogSw

-3.59

Polar Surface Area

58.226

Acid Dissociation Constant (pKa)

12.91

Base Dissociation Constant (pKb)

2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

G786-0665 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G786-0665 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-0665?
Check Price and Availability of G786-0665, 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 G786-0665 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-0665
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-0665
  • 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 G786-0665 available by request