G730-0891 Screening compound: N~3~-(3,4-diethoxyphenethyl)-7,8,9,10-tetrahydro-6H-azepino[1,2-a][1,3]benzimidazole-3-carboxamide

G730-0891 Screening compound: N~3~-(3,4-diethoxyphenethyl)-7,8,9,10-tetrahydro-6H-azepino[1,2-a][1,3]benzimidazole-3-carboxamide
G730-0891 Screening compound: N~3~-(3,4-diethoxyphenethyl)-7,8,9,10-tetrahydro-6H-azepino[1,2-a][1,3]benzimidazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G730-0891
N~3~-(3,4-diethoxyphenethyl)-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

G730-0891

Molecular Formula

C25H31N3O3 (C25 H31 N3 O3)

Compound Name

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

IUPAC name

N-[2-(34-diethoxyphenyl)ethyl]-18-diazatricyclo[7.5.0.0^{27}]tetradeca-2(7)358-tetraene-5-carboxamide

SMILES

CCOc(ccc(CCNC(c(cc1)cc2c1n(CCCCC1)c1n2)=O)c1)c1OCC

InChI

InChI=1S/C25H31N3O3/c1-3-30-22-12-9-18(16-23(22)31-4-2)13-14-26-25(29)19-10-11-21-20(17-19)27-24-8-6-5-7-15-28(21)24/h9-12,16-17H,3-8,13-15H2,1-2H3,(H,26,29)

InChI Key

YFROYMLNDPIEEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15030601

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.393

Distribution Coefficient, logD

3.391

Water Solubility, LogSw

-3.57

Polar Surface Area

50.446

Acid Dissociation Constant (pKa)

13.12

Base Dissociation Constant (pKb)

5.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

G730-0891 in Drug Discovery

Included in Screening Libraries

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

DGK Inhibitors Library (10558 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 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
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G730-0891 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G730-0891?
Check Price and Availability of G730-0891, 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 G730-0891 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G730-0891
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G730-0891
  • 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 G730-0891 available by request