P095-0515 Screening compound: N-[(2,5-dimethoxyphenyl)methyl]-3-(1H-indol-6-yl)propanamide

P095-0515 Screening compound: N-[(2,5-dimethoxyphenyl)methyl]-3-(1H-indol-6-yl)propanamide
P095-0515 Screening compound: N-[(2,5-dimethoxyphenyl)methyl]-3-(1H-indol-6-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P095-0515
N-[(2,5-dimethoxyphenyl)methyl]-3-(1H-indol-6-yl)propanamide

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

P095-0515

Molecular Formula

C20H22N2O3 (C20 H22 N2 O3)

Compound Name

N-[(2,5-dimethoxyphenyl)methyl]-3-(1H-indol-6-yl)propanamide

IUPAC name

N-[(25-dimethoxyphenyl)methyl]-3-(1H-indol-6-yl)propanamide

SMILES

COc(cc1)cc(CNC(CCc2cc([nH]cc3)c3cc2)=O)c1OC

InChI

InChI=1S/C20H22N2O3/c1-24-17-6-7-19(25-2)16(12-17)13-22-20(23)8-4-14-3-5-15-9-10-21-18(15)11-14/h3,5-7,9-12,21H,4,8,13H2,1-2H3,(H,22,23)

InChI Key

UFYGZAOUBVCSON-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27564255

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.434

Distribution Coefficient, logD

3.434

Water Solubility, LogSw

-3.63

Polar Surface Area

49.394

Acid Dissociation Constant (pKa)

13.10

Base Dissociation Constant (pKb)

-0.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

P095-0515 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P095-0515 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P095-0515?
Check Price and Availability of P095-0515, 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 P095-0515 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P095-0515
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P095-0515
  • 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 P095-0515 available by request