4896-4666 Screening compound: 3-[(1H-indol-3-yl)[3-(prop-2-en-1-yloxy)phenyl]methyl]-1H-indole

4896-4666 Screening compound: 3-[(1H-indol-3-yl)[3-(prop-2-en-1-yloxy)phenyl]methyl]-1H-indole
4896-4666 Screening compound: 3-[(1H-indol-3-yl)[3-(prop-2-en-1-yloxy)phenyl]methyl]-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4896-4666
3-[(1H-indol-3-yl)[3-(prop-2-en-1-yloxy)phenyl]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

4896-4666

Molecular Formula

C26H22N2O (C26 H22 N2 O)

Compound Name

3-[(1H-indol-3-yl)[3-(prop-2-en-1-yloxy)phenyl]methyl]-1H-indole

IUPAC name

3-[(1H-indol-3-yl)[3-(prop-2-en-1-yloxy)phenyl]methyl]-1H-indole

SMILES

C=CCOc1cc(C(c2c[nH]c3c2cccc3)c2c[nH]c3c2cccc3)ccc1

InChI

InChI=1S/C26H22N2O/c1-2-14-29-19-9-7-8-18(15-19)26(22-16-27-24-12-5-3-10-20(22)24)23-17-28-25-13-6-4-11-21(23)25/h2-13,15-17,26-28H,1,14H2

InChI Key

DIMHTAWAUASSCM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02951954

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.47

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.339

Distribution Coefficient, logD

6.339

Water Solubility, LogSw

-6.52

Polar Surface Area

26.855

Acid Dissociation Constant (pKa)

17.79

Base Dissociation Constant (pKb)

-3.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

4896-4666 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 4896-4666 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4896-4666?
Check Price and Availability of 4896-4666, 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 4896-4666 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4896-4666
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4896-4666
  • 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 4896-4666 available by request