G786-0748 Screening compound: 3-(3,4-dimethylphenyl)-1-(4-methoxyphenyl)-3-({5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}methyl)urea

G786-0748 Screening compound: 3-(3,4-dimethylphenyl)-1-(4-methoxyphenyl)-3-({5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}methyl)urea
G786-0748 Screening compound: 3-(3,4-dimethylphenyl)-1-(4-methoxyphenyl)-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 G786-0748
3-(3,4-dimethylphenyl)-1-(4-methoxyphenyl)-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

G786-0748

Molecular Formula

C24H29N5O2 (C24 H29 N5 O2)

Compound Name

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

IUPAC name

3-(34-dimethylphenyl)-1-(4-methoxyphenyl)-3-({5H6H7H8H9H-[124]triazolo[43-a]azepin-3-yl}methyl)urea

SMILES

Cc(cc1)c(C)cc1N(Cc1nnc2n1CCCCC2)C(Nc(cc1)ccc1OC)=O

InChI

InChI=1S/C24H29N5O2/c1-17-8-11-20(15-18(17)2)29(24(30)25-19-9-12-21(31-3)13-10-19)16-23-27-26-22-7-5-4-6-14-28(22)23/h8-13,15H,4-7,14,16H2,1-3H3,(H,25,30)

InChI Key

WSAORRIIJUVDRT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06747874

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.53

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

4.459

Distribution Coefficient, logD

4.459

Water Solubility, LogSw

-4.23

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

37.50

G786-0748 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 G786-0748 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-0748?
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What is the minimum amount of G786-0748 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-0748
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-0748
  • 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 G786-0748 available by request