C798-0866 Screening compound: 1-(2-methyl-2,3-dihydro-1H-indol-1-yl)ethan-1-one

C798-0866 Screening compound: 1-(2-methyl-2,3-dihydro-1H-indol-1-yl)ethan-1-one
C798-0866 Screening compound: 1-(2-methyl-2,3-dihydro-1H-indol-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C798-0866
1-(2-methyl-2,3-dihydro-1H-indol-1-yl)ethan-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

C798-0866

Molecular Formula

C11H13NO (C11 H13 NO)

Compound Name

1-(2-methyl-2,3-dihydro-1H-indol-1-yl)ethan-1-one

IUPAC name

1-(2-methyl-23-dihydro-1H-indol-1-yl)ethan-1-one

SMILES

CC(C1)N(C(C)=O)c2c1cccc2

InChI

InChI=1S/C11H13NO/c1-8-7-10-5-3-4-6-11(10)12(8)9(2)13/h3-6,8H,7H2,1-2H3/t8-/m0/s1

InChI Key

XIKHMUMEEURMLM-QMMMGPOBSA-N

MDL Number (MFCD)

MFCD00456248

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

175.23

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

1.870

Distribution Coefficient, logD

1.870

Water Solubility, LogSw

-2.02

Polar Surface Area

15.596

Acid Dissociation Constant (pKa)

23.37

Base Dissociation Constant (pKb)

-0.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

C798-0866 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Fragments Library (11262 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C798-0866 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C798-0866?
Check Price and Availability of C798-0866, 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 C798-0866 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C798-0866
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C798-0866
  • 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 C798-0866 available by request