4896-4907 Screening compound: 3-[(3,4-diethoxyphenyl)(1H-indol-3-yl)methyl]-1H-indole

4896-4907 Screening compound: 3-[(3,4-diethoxyphenyl)(1H-indol-3-yl)methyl]-1H-indole
4896-4907 Screening compound: 3-[(3,4-diethoxyphenyl)(1H-indol-3-yl)methyl]-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4896-4907
3-[(3,4-diethoxyphenyl)(1H-indol-3-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

4896-4907

Molecular Formula

C27H26N2O2 (C27 H26 N2 O2)

Compound Name

3-[(3,4-diethoxyphenyl)(1H-indol-3-yl)methyl]-1H-indole

IUPAC name

3-[(34-diethoxyphenyl)(1H-indol-3-yl)methyl]-1H-indole

SMILES

CCOc(ccc(C(c1c[nH]c2c1cccc2)c1c[nH]c2c1cccc2)c1)c1OCC

InChI

InChI=1S/C27H26N2O2/c1-3-30-25-14-13-18(15-26(25)31-4-2)27(21-16-28-23-11-7-5-9-19(21)23)22-17-29-24-12-8-6-10-20(22)24/h5-17,27-29H,3-4H2,1-2H3

InChI Key

RPLSYOGYKYHAOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03448133

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.52

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.921

Distribution Coefficient, logD

5.921

Water Solubility, LogSw

-5.99

Polar Surface Area

33.857

Acid Dissociation Constant (pKa)

17.79

Base Dissociation Constant (pKb)

-3.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

4896-4907 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Glucocorticoid receptors Library (4806 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4896-4907 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4896-4907?
Check Price and Availability of 4896-4907, 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 4896-4907 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4896-4907
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4896-4907
  • 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 4896-4907 available by request