G730-0458 Screening compound: 3-methyl-N~7~-propyl-1,2,3,4-tetrahydropyrido[1,2-a][1,3]benzimidazole-7-carboxamide

G730-0458 Screening compound: 3-methyl-N~7~-propyl-1,2,3,4-tetrahydropyrido[1,2-a][1,3]benzimidazole-7-carboxamide
G730-0458 Screening compound: 3-methyl-N~7~-propyl-1,2,3,4-tetrahydropyrido[1,2-a][1,3]benzimidazole-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G730-0458
3-methyl-N~7~-propyl-1,2,3,4-tetrahydropyrido[1,2-a][1,3]benzimidazole-7-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

G730-0458

Molecular Formula

C16H21N3O (C16 H21 N3 O)

Compound Name

3-methyl-N~7~-propyl-1,2,3,4-tetrahydropyrido[1,2-a][1,3]benzimidazole-7-carboxamide

IUPAC name

11-methyl-N-propyl-18-diazatricyclo[7.4.0.0^{27}]trideca-2(7)358-tetraene-5-carboxamide

SMILES

CCCNC(c(cc1)cc2c1n(CCC(C)C1)c1n2)=O

InChI

InChI=1S/C16H21N3O/c1-3-7-17-16(20)12-4-5-14-13(10-12)18-15-9-11(2)6-8-19(14)15/h4-5,10-11H,3,6-9H2,1-2H3,(H,17,20)/t11-/m1/s1

InChI Key

SSVRZEHYLRJICP-LLVKDONJSA-N

MDL Number (MFCD)

MFCD15030514

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

271.36

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.875

Distribution Coefficient, logD

2.868

Water Solubility, LogSw

-3.25

Polar Surface Area

35.966

Acid Dissociation Constant (pKa)

14.26

Base Dissociation Constant (pKb)

5.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

G730-0458 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

STING Agonist Library (5895 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with G730-0458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G730-0458?
Check Price and Availability of G730-0458, 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 G730-0458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G730-0458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G730-0458
  • 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 G730-0458 available by request