G786-0727 Screening compound: 1-(4-methoxyphenyl)-3-(3-methylphenyl)-3-({5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}methyl)urea

G786-0727 Screening compound: 1-(4-methoxyphenyl)-3-(3-methylphenyl)-3-({5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}methyl)urea
G786-0727 Screening compound: 1-(4-methoxyphenyl)-3-(3-methylphenyl)-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 G786-0727
1-(4-methoxyphenyl)-3-(3-methylphenyl)-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

G786-0727

Molecular Formula

C23H27N5O2 (C23 H27 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(N(Cc2nnc3n2CCCCC3)C(Nc(cc2)ccc2OC)=O)c1

InChI

InChI=1S/C23H27N5O2/c1-17-7-6-8-19(15-17)28(23(29)24-18-10-12-20(30-2)13-11-18)16-22-26-25-21-9-4-3-5-14-27(21)22/h6-8,10-13,15H,3-5,9,14,16H2,1-2H3,(H,24,29)

InChI Key

VUXPLOVAMHACPA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06747860

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.5

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

3.825

Distribution Coefficient, logD

3.825

Water Solubility, LogSw

-3.91

Polar Surface Area

58.226

Acid Dissociation Constant (pKa)

14.29

Base Dissociation Constant (pKb)

2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

G786-0727 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Protein-Protein Interaction Library (218420 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 G786-0727 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-0727?
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What is the minimum amount of G786-0727 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-0727
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-0727
  • 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 G786-0727 available by request