8008-9847 Screening compound: 5-benzoyl-2,8-dimethyl-1H,2H,3H,4H,4aH,5H,9bH-pyrido[4,3-b]indole

8008-9847 Screening compound: 5-benzoyl-2,8-dimethyl-1H,2H,3H,4H,4aH,5H,9bH-pyrido[4,3-b]indole
8008-9847 Screening compound: 5-benzoyl-2,8-dimethyl-1H,2H,3H,4H,4aH,5H,9bH-pyrido[4,3-b]indole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-9847
5-benzoyl-2,8-dimethyl-1H,2H,3H,4H,4aH,5H,9bH-pyrido[4,3-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

8008-9847

Molecular Formula

C20H22N2O (C20 H22 N2 O)

Compound Name

5-benzoyl-2,8-dimethyl-1H,2H,3H,4H,4aH,5H,9bH-pyrido[4,3-b]indole

IUPAC name

5-benzoyl-28-dimethyl-1H2H3H4H4aH5H9bH-pyrido[43-b]indole

SMILES

Cc(cc1)cc(C2C3CCN(C)C2)c1N3C(c1ccccc1)=O

InChI

InChI=1S/C20H22N2O/c1-14-8-9-18-16(12-14)17-13-21(2)11-10-19(17)22(18)20(23)15-6-4-3-5-7-15/h3-9,12,17,19H,10-11,13H2,1-2H3

InChI Key

OVDAQVIEYIDYQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02702462

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

306.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.555

Distribution Coefficient, logD

0.932

Water Solubility, LogSw

-3.05

Polar Surface Area

18.191

Acid Dissociation Constant (pKa)

23.29

Base Dissociation Constant (pKb)

9.01

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.00

8008-9847 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Anticancer Library (62698 compounds)

Antifungal Library (16415 compounds)

CNS BBB Library (22607 compounds)

GPCR Targeted Library (31838 compounds)

Ion Channels Focused Library (26372 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
  • Cardiovascular
  • Cancer
Agro:
  • Agro
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with 8008-9847 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-9847?
Check Price and Availability of 8008-9847, 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 8008-9847 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-9847
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-9847
  • 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 8008-9847 available by request