0350-0063 Screening compound: (3E)-4-(1-methyl-1H-indol-3-yl)but-3-en-2-one

0350-0063 Screening compound: (3E)-4-(1-methyl-1H-indol-3-yl)but-3-en-2-one
0350-0063 Screening compound: (3E)-4-(1-methyl-1H-indol-3-yl)but-3-en-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0350-0063
(3E)-4-(1-methyl-1H-indol-3-yl)but-3-en-2-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

0350-0063

Molecular Formula

C13H13NO (C13 H13 NO)

Compound Name

(3E)-4-(1-methyl-1H-indol-3-yl)but-3-en-2-one

IUPAC name

(3E)-4-(1-methyl-1H-indol-3-yl)but-3-en-2-one

SMILES

CC(/C=C/c1cn(C)c2c1cccc2)=O

InChI

InChI=1S/C13H13NO/c1-10(15)7-8-11-9-14(2)13-6-4-3-5-12(11)13/h3-9H,1-2H3

InChI Key

HCYQBFAGILCNRB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00218450

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

199.25

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.267

Distribution Coefficient, logD

2.267

Water Solubility, LogSw

-2.47

Polar Surface Area

16.133

Acid Dissociation Constant (pKa)

24.32

Base Dissociation Constant (pKb)

-2.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

0350-0063 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Lipid Metabolism Library (9174 compounds)

STING Agonist Library (5895 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cardiovascular
  • Metabolic
  • Cancer
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Agro:
  • Agro
Targets:
  • Others
  • Phosphatases
Mechanism of action:
  • Epigenetic
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 0350-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0350-0063?
Check Price and Availability of 0350-0063, 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 0350-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0350-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0350-0063
  • 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 0350-0063 available by request