G730-0954 Screening compound: N~3~-(4-ethoxy-3-methoxybenzyl)-7,8,9,10-tetrahydro-6H-azepino[1,2-a][1,3]benzimidazole-3-carboxamide

G730-0954 Screening compound: N~3~-(4-ethoxy-3-methoxybenzyl)-7,8,9,10-tetrahydro-6H-azepino[1,2-a][1,3]benzimidazole-3-carboxamide
G730-0954 Screening compound: N~3~-(4-ethoxy-3-methoxybenzyl)-7,8,9,10-tetrahydro-6H-azepino[1,2-a][1,3]benzimidazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G730-0954
N~3~-(4-ethoxy-3-methoxybenzyl)-7,8,9,10-tetrahydro-6H-azepino[1,2-a][1,3]benzimidazole-3-carboxamide

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

G730-0954

Molecular Formula

C23H27N3O3 (C23 H27 N3 O3)

Compound Name

N~3~-(4-ethoxy-3-methoxybenzyl)-7,8,9,10-tetrahydro-6H-azepino[1,2-a][1,3]benzimidazole-3-carboxamide

IUPAC name

N-[(4-ethoxy-3-methoxyphenyl)methyl]-18-diazatricyclo[7.5.0.0^{27}]tetradeca-2(7)358-tetraene-5-carboxamide

SMILES

CCOc(ccc(CNC(c(cc1)cc2c1n(CCCCC1)c1n2)=O)c1)c1OC

InChI

InChI=1S/C23H27N3O3/c1-3-29-20-11-8-16(13-21(20)28-2)15-24-23(27)17-9-10-19-18(14-17)25-22-7-5-4-6-12-26(19)22/h8-11,13-14H,3-7,12,15H2,1-2H3,(H,24,27)

InChI Key

ZNYZUGIBFHBENX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15030615

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.412

Distribution Coefficient, logD

3.410

Water Solubility, LogSw

-3.60

Polar Surface Area

51.025

Acid Dissociation Constant (pKa)

13.26

Base Dissociation Constant (pKb)

5.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

G730-0954 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

DGK Inhibitors Library (10558 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Epigenetics Focused Set (26518 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with G730-0954 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G730-0954?
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What is the minimum amount of G730-0954 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G730-0954
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G730-0954
  • 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 G730-0954 available by request