4401-0054 Screening compound: 6-chloro-N-ethyl-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide

4401-0054 Screening compound: 6-chloro-N-ethyl-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
4401-0054 Screening compound: 6-chloro-N-ethyl-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4401-0054
6-chloro-N-ethyl-2,3,4,9-tetrahydro-1H-carbazole-1-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

4401-0054

Molecular Formula

C15H17ClN2O (C15 H17 ClN2 O)

Compound Name

6-chloro-N-ethyl-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide

IUPAC name

6-chloro-N-ethyl-2349-tetrahydro-1H-carbazole-1-carboxamide

SMILES

CCNC(C(CCC1)c2c1c(cc(cc1)Cl)c1[nH]2)=O

InChI

InChI=1S/C15H17ClN2O/c1-2-17-15(19)11-5-3-4-10-12-8-9(16)6-7-13(12)18-14(10)11/h6-8,11,18H,2-5H2,1H3,(H,17,19)/t11-/m1/s1

InChI Key

CINDSJGTCCZHHM-LLVKDONJSA-N

MDL Number (MFCD)

MFCD00846300

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

276.77

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.444

Distribution Coefficient, logD

3.444

Water Solubility, LogSw

-3.85

Polar Surface Area

34.680

Acid Dissociation Constant (pKa)

13.69

Base Dissociation Constant (pKb)

0.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

4401-0054 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-infective Library (19449 compounds)

DGK Inhibitors Library (10558 compounds)

Dark Chemical Matter Library (18430 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Kinases
Structure:
  • Pool
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • Epigenetic

References: we are preparing a list of scientific research reports with 4401-0054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4401-0054?
Check Price and Availability of 4401-0054, 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 4401-0054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4401-0054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4401-0054
  • 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 4401-0054 available by request