0891-0958 Screening compound: 6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-one

0891-0958 Screening compound: 6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-one
0891-0958 Screening compound: 6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0891-0958
6-methyl-2,3,4,9-tetrahydro-1H-carbazol-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

0891-0958

Molecular Formula

C13H13NO (C13 H13 NO)

Compound Name

6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-one

IUPAC name

6-methyl-2349-tetrahydro-1H-carbazol-1-one

SMILES

Cc(cc1)cc2c1[nH]c1c2CCCC1=O

InChI

InChI=1S/C13H13NO/c1-8-5-6-11-10(7-8)9-3-2-4-12(15)13(9)14-11/h5-7,14H,2-4H2,1H3

InChI Key

ITWUGZSJDMBOPH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00220361

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

199.25

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.827

Distribution Coefficient, logD

2.827

Water Solubility, LogSw

-3.29

Polar Surface Area

23.617

Acid Dissociation Constant (pKa)

17.17

Base Dissociation Constant (pKb)

-3.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

0891-0958 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Fragments Library (11262 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 0891-0958 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0891-0958?
Check Price and Availability of 0891-0958, 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 0891-0958 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0891-0958
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0891-0958
  • 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 0891-0958 available by request