0167-0001 Screening compound: 1-(1H-indol-1-yl)ethan-1-one

0167-0001 Screening compound: 1-(1H-indol-1-yl)ethan-1-one
0167-0001 Screening compound: 1-(1H-indol-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0167-0001
1-(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

0167-0001

Molecular Formula

C10H9NO (C10 H9 NO)

Compound Name

1-(1H-indol-1-yl)ethan-1-one

IUPAC name

1-(1H-indol-1-yl)ethan-1-one

SMILES

CC(n(cc1)c2c1cccc2)=O

InChI

InChI=1S/C10H9NO/c1-8(12)11-7-6-9-4-2-3-5-10(9)11/h2-7H,1H3

InChI Key

UUCUQJHYUPXDHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00038005

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

159.19

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

1.831

Distribution Coefficient, logD

1.831

Water Solubility, LogSw

-1.90

Polar Surface Area

16.472

Acid Dissociation Constant (pKa)

19.14

Base Dissociation Constant (pKb)

-6.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

0167-0001 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Frequent Hitters Library (7624 compounds)

Lipid Metabolism Library (9174 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 0167-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0167-0001?
Check Price and Availability of 0167-0001, 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 0167-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0167-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0167-0001
  • 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 0167-0001 available by request