Y041-0718 Screening compound: 3-(7-methoxy-1H-indol-1-yl)propanoic acid

Y041-0718 Screening compound: 3-(7-methoxy-1H-indol-1-yl)propanoic acid
Y041-0718 Screening compound: 3-(7-methoxy-1H-indol-1-yl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-0718
3-(7-methoxy-1H-indol-1-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

Y041-0718

Molecular Formula

C12H13NO3 (C12 H13 NO3)

Compound Name

3-(7-methoxy-1H-indol-1-yl)propanoic acid

IUPAC name

3-(7-methoxy-1H-indol-1-yl)propanoic acid

SMILES

COc1c2n(CCC(O)=O)ccc2ccc1

InChI

InChI=1S/C12H13NO3/c1-16-10-4-2-3-9-5-7-13(12(9)10)8-6-11(14)15/h2-5,7H,6,8H2,1H3,(H,14,15)

InChI Key

CAJDFRRZTPYBHZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16090150

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

219.24

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.215

Distribution Coefficient, logD

-1.579

Water Solubility, LogSw

-1.93

Polar Surface Area

38.118

Acid Dissociation Constant (pKa)

4.61

Base Dissociation Constant (pKb)

-2.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

Y041-0718 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with Y041-0718 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-0718?
Check Price and Availability of Y041-0718, 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 Y041-0718 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-0718
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-0718
  • 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 Y041-0718 available by request