Y041-3881 Screening compound: 3-(1-methyl-1H-indol-3-yl)propanoic acid

Y041-3881 Screening compound: 3-(1-methyl-1H-indol-3-yl)propanoic acid
Y041-3881 Screening compound: 3-(1-methyl-1H-indol-3-yl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-3881
3-(1-methyl-1H-indol-3-yl)propanoic acid

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

Y041-3881

Molecular Formula

C12H13NO2 (C12 H13 NO2)

Compound Name

3-(1-methyl-1H-indol-3-yl)propanoic acid

IUPAC name

3-(1-methyl-1H-indol-3-yl)propanoic acid

SMILES

Cn1c(cccc2)c2c(CCC(O)=O)c1

InChI

InChI=1S/C12H13NO2/c1-13-8-9(6-7-12(14)15)10-4-2-3-5-11(10)13/h2-5,8H,6-7H2,1H3,(H,14,15)

InChI Key

VVKVBQDZJLGAFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01548325

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

203.24

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.999

Distribution Coefficient, logD

-0.802

Water Solubility, LogSw

-2.05

Polar Surface Area

31.182

Acid Dissociation Constant (pKa)

4.60

Base Dissociation Constant (pKb)

-2.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

Y041-3881 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

Cardiovascular Library (22201 compounds)

STING Agonist Library (5895 compounds)

Soluble Diversity Library (15920 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y041-3881 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-3881?
Check Price and Availability of Y041-3881, 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 Y041-3881 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-3881
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-3881
  • 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 Y041-3881 available by request