G811-0027 Screening compound: 2-(2H-1,3-benzodioxole-5-carbonyl)-1-phenyl-1H,2H,3H,4H,9H-pyrido[3,4-b]indole

G811-0027 Screening compound: 2-(2H-1,3-benzodioxole-5-carbonyl)-1-phenyl-1H,2H,3H,4H,9H-pyrido[3,4-b]indole
G811-0027 Screening compound: 2-(2H-1,3-benzodioxole-5-carbonyl)-1-phenyl-1H,2H,3H,4H,9H-pyrido[3,4-b]indole alternative view

Chemical Structure Depiction of ChemDiv screening compound G811-0027
2-(2H-1,3-benzodioxole-5-carbonyl)-1-phenyl-1H,2H,3H,4H,9H-pyrido[3,4-b]indole

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

G811-0027

Molecular Formula

C25H20N2O3 (C25 H20 N2 O3)

Compound Name

2-(2H-1,3-benzodioxole-5-carbonyl)-1-phenyl-1H,2H,3H,4H,9H-pyrido[3,4-b]indole

IUPAC name

2-(2H-13-benzodioxole-5-carbonyl)-1-phenyl-1H2H3H4H9H-pyrido[34-b]indole

SMILES

O=C(c(cc1)cc2c1OCO2)N(CCc1c2[nH]c3c1cccc3)C2c1ccccc1

InChI

InChI=1S/C25H20N2O3/c28-25(17-10-11-21-22(14-17)30-15-29-21)27-13-12-19-18-8-4-5-9-20(18)26-23(19)24(27)16-6-2-1-3-7-16/h1-11,14,24,26H,12-13,15H2/t24-/m1/s1

InChI Key

YJOYJYFMRWEULL-XMMPIXPASA-N

MDL Number (MFCD)

MFCD01496913

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.919

Distribution Coefficient, logD

4.919

Water Solubility, LogSw

-5.17

Polar Surface Area

43.187

Acid Dissociation Constant (pKa)

18.36

Base Dissociation Constant (pKb)

-3.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.00

G811-0027 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

DGK Inhibitors Library (10558 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with G811-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G811-0027?
Check Price and Availability of G811-0027, 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 G811-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G811-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G811-0027
  • 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 G811-0027 available by request