4896-4681 Screening compound: 3-[(3,4-dimethoxyphenyl)(1H-indol-3-yl)methyl]-1H-indole

4896-4681 Screening compound: 3-[(3,4-dimethoxyphenyl)(1H-indol-3-yl)methyl]-1H-indole
4896-4681 Screening compound: 3-[(3,4-dimethoxyphenyl)(1H-indol-3-yl)methyl]-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4896-4681
3-[(3,4-dimethoxyphenyl)(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

4896-4681

Molecular Formula

C25H22N2O2 (C25 H22 N2 O2)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(C(c1c[nH]c2c1cccc2)c1c[nH]c2c1cccc2)c1)c1OC

InChI

InChI=1S/C25H22N2O2/c1-28-23-12-11-16(13-24(23)29-2)25(19-14-26-21-9-5-3-7-17(19)21)20-15-27-22-10-6-4-8-18(20)22/h3-15,25-27H,1-2H3

InChI Key

AZZXONYAPGBGLX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03448130

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.46

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.430

Distribution Coefficient, logD

5.430

Water Solubility, LogSw

-6.00

Polar Surface Area

34.698

Acid Dissociation Constant (pKa)

17.79

Base Dissociation Constant (pKb)

-3.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

4896-4681 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 4896-4681 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4896-4681?
Check Price and Availability of 4896-4681, 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 4896-4681 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4896-4681
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4896-4681
  • 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 4896-4681 available by request