G786-0689 Screening compound: 1-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)-3-({5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}methyl)urea

G786-0689 Screening compound: 1-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)-3-({5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}methyl)urea
G786-0689 Screening compound: 1-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)-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 G786-0689
1-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)-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

G786-0689

Molecular Formula

C23H26ClN5O3 (C23 H26 ClN5 O3)

Compound Name

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

IUPAC name

1-(4-chlorophenyl)-3-(24-dimethoxyphenyl)-3-({5H6H7H8H9H-[124]triazolo[43-a]azepin-3-yl}methyl)urea

SMILES

COc(cc1)cc(OC)c1N(Cc1nnc2n1CCCCC2)C(Nc(cc1)ccc1Cl)=O

InChI

InChI=1S/C23H26ClN5O3/c1-31-18-11-12-19(20(14-18)32-2)29(23(30)25-17-9-7-16(24)8-10-17)15-22-27-26-21-6-4-3-5-13-28(21)22/h7-12,14H,3-6,13,15H2,1-2H3,(H,25,30)

InChI Key

HWPIUSDHOCYKKM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06737920

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.94

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.996

Distribution Coefficient, logD

3.996

Water Solubility, LogSw

-4.62

Polar Surface Area

65.556

Acid Dissociation Constant (pKa)

12.70

Base Dissociation Constant (pKb)

2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

G786-0689 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G786-0689 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-0689?
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What is the minimum amount of G786-0689 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-0689
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-0689
  • 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 G786-0689 available by request