P091-0416 Screening compound: 3-(1H-indol-5-yl)-N-[(oxolan-2-yl)methyl]propanamide

P091-0416 Screening compound: 3-(1H-indol-5-yl)-N-[(oxolan-2-yl)methyl]propanamide
P091-0416 Screening compound: 3-(1H-indol-5-yl)-N-[(oxolan-2-yl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P091-0416
3-(1H-indol-5-yl)-N-[(oxolan-2-yl)methyl]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

P091-0416

Molecular Formula

C16H20N2O2 (C16 H20 N2 O2)

Compound Name

3-(1H-indol-5-yl)-N-[(oxolan-2-yl)methyl]propanamide

IUPAC name

3-(1H-indol-5-yl)-N-[(oxolan-2-yl)methyl]propanamide

SMILES

O=C(CCc(cc1)cc2c1[nH]cc2)NCC1OCCC1

InChI

InChI=1S/C16H20N2O2/c19-16(18-11-14-2-1-9-20-14)6-4-12-3-5-15-13(10-12)7-8-17-15/h3,5,7-8,10,14,17H,1-2,4,6,9,11H2,(H,18,19)/t14-/m1/s1

InChI Key

GXAXMVLQICWRAJ-CQSZACIVSA-N

MDL Number (MFCD)

MFCD27563836

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

272.35

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.589

Distribution Coefficient, logD

1.589

Water Solubility, LogSw

-2.20

Polar Surface Area

42.874

Acid Dissociation Constant (pKa)

13.79

Base Dissociation Constant (pKb)

-0.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.75

P091-0416 in Drug Discovery

Included in Screening Libraries

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

Indole Derivatives (10091 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P091-0416 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P091-0416?
Check Price and Availability of P091-0416, 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 P091-0416 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P091-0416
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P091-0416
  • 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 P091-0416 available by request