8009-7030 Screening compound: 4-chloro-1-{1H,2H,3H,4H,5H-pyrido[4,3-b]indol-2-yl}butan-1-one

8009-7030 Screening compound: 4-chloro-1-{1H,2H,3H,4H,5H-pyrido[4,3-b]indol-2-yl}butan-1-one
8009-7030 Screening compound: 4-chloro-1-{1H,2H,3H,4H,5H-pyrido[4,3-b]indol-2-yl}butan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-7030
4-chloro-1-{1H,2H,3H,4H,5H-pyrido[4,3-b]indol-2-yl}butan-1-one

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

8009-7030

Molecular Formula

C15H17ClN2O (C15 H17 ClN2 O)

Compound Name

4-chloro-1-{1H,2H,3H,4H,5H-pyrido[4,3-b]indol-2-yl}butan-1-one

IUPAC name

4-chloro-1-{1H2H3H4H5H-pyrido[43-b]indol-2-yl}butan-1-one

SMILES

O=C(CCCCl)N(CC1)Cc2c1[nH]c1c2cccc1

InChI

InChI=1S/C15H17ClN2O/c16-8-3-6-15(19)18-9-7-14-12(10-18)11-4-1-2-5-13(11)17-14/h1-2,4-5,17H,3,6-10H2

InChI Key

PAOMATUKHSKOND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01819776

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

276.77

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.020

Distribution Coefficient, logD

2.020

Water Solubility, LogSw

-2.50

Polar Surface Area

27.143

Acid Dissociation Constant (pKa)

18.68

Base Dissociation Constant (pKb)

-0.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

8009-7030 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8009-7030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-7030?
Check Price and Availability of 8009-7030, 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 8009-7030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-7030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-7030
  • 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 8009-7030 available by request