G730-0985 Screening compound: N~3~-(4-isopropoxybenzyl)-7,8,9,10-tetrahydro-6H-azepino[1,2-a][1,3]benzimidazole-3-carboxamide

G730-0985 Screening compound: N~3~-(4-isopropoxybenzyl)-7,8,9,10-tetrahydro-6H-azepino[1,2-a][1,3]benzimidazole-3-carboxamide
G730-0985 Screening compound: N~3~-(4-isopropoxybenzyl)-7,8,9,10-tetrahydro-6H-azepino[1,2-a][1,3]benzimidazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G730-0985
N~3~-(4-isopropoxybenzyl)-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

G730-0985

Molecular Formula

C23H27N3O2 (C23 H27 N3 O2)

Compound Name

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

IUPAC name

N-{[4-(propan-2-yloxy)phenyl]methyl}-18-diazatricyclo[7.5.0.0^{27}]tetradeca-2(7)358-tetraene-5-carboxamide

SMILES

CC(C)Oc1ccc(CNC(c(cc2)cc3c2n(CCCCC2)c2n3)=O)cc1

InChI

InChI=1S/C23H27N3O2/c1-16(2)28-19-10-7-17(8-11-19)15-24-23(27)18-9-12-21-20(14-18)25-22-6-4-3-5-13-26(21)22/h7-12,14,16H,3-6,13,15H2,1-2H3,(H,24,27)

InChI Key

HJSMKSCDRHUFDW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15030630

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.118

Distribution Coefficient, logD

4.116

Water Solubility, LogSw

-4.13

Polar Surface Area

42.987

Acid Dissociation Constant (pKa)

12.75

Base Dissociation Constant (pKb)

5.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

G730-0985 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Human Proteases Annotated Library (2868 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Recognition Elements PPI Library (24135 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with G730-0985 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G730-0985?
Check Price and Availability of G730-0985, 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 G730-0985 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G730-0985
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G730-0985
  • 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 G730-0985 available by request