1409-0008 Screening compound: 1-[(2-phenyl-1,3-dioxolan-2-yl)methyl]-1H-indole

1409-0008 Screening compound: 1-[(2-phenyl-1,3-dioxolan-2-yl)methyl]-1H-indole
1409-0008 Screening compound: 1-[(2-phenyl-1,3-dioxolan-2-yl)methyl]-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound 1409-0008
1-[(2-phenyl-1,3-dioxolan-2-yl)methyl]-1H-indole

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

1409-0008

Molecular Formula

C18H17NO2 (C18 H17 NO2)

Compound Name

1-[(2-phenyl-1,3-dioxolan-2-yl)methyl]-1H-indole

IUPAC name

1-[(2-phenyl-13-dioxolan-2-yl)methyl]-1H-indole

SMILES

C(C1(c2ccccc2)OCCO1)n(cc1)c2c1cccc2

InChI

InChI=1S/C18H17NO2/c1-2-7-16(8-3-1)18(20-12-13-21-18)14-19-11-10-15-6-4-5-9-17(15)19/h1-11H,12-14H2

InChI Key

QRCFBEDWMBJLQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00612501

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

279.34

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.852

Distribution Coefficient, logD

3.852

Water Solubility, LogSw

-3.88

Polar Surface Area

17.843

Acid Dissociation Constant (pKa)

26.75

Base Dissociation Constant (pKb)

-3.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.22

1409-0008 in Drug Discovery

Included in Screening Libraries

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

Cardiovascular Library (22201 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 1409-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1409-0008?
Check Price and Availability of 1409-0008, 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 1409-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1409-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1409-0008
  • 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 1409-0008 available by request