5511-0149 Screening compound: 4-[bis(1H-indol-3-yl)methyl]benzene-1,2-diol

5511-0149 Screening compound: 4-[bis(1H-indol-3-yl)methyl]benzene-1,2-diol
5511-0149 Screening compound: 4-[bis(1H-indol-3-yl)methyl]benzene-1,2-diol alternative view

Chemical Structure Depiction of ChemDiv screening compound 5511-0149
4-[bis(1H-indol-3-yl)methyl]benzene-1,2-diol

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

5511-0149

Molecular Formula

C23H18N2O2 (C23 H18 N2 O2)

Compound Name

4-[bis(1H-indol-3-yl)methyl]benzene-1,2-diol

IUPAC name

4-[bis(1H-indol-3-yl)methyl]benzene-12-diol

SMILES

Oc(ccc(C(c1c[nH]c2c1cccc2)c1c[nH]c2c1cccc2)c1)c1O

InChI

InChI=1S/C23H18N2O2/c26-21-10-9-14(11-22(21)27)23(17-12-24-19-7-3-1-5-15(17)19)18-13-25-20-8-4-2-6-16(18)20/h1-13,23-27H

InChI Key

SVEJYYUKKJRQCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03235501

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.41

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.720

Distribution Coefficient, logD

4.712

Water Solubility, LogSw

-4.48

Polar Surface Area

52.533

Acid Dissociation Constant (pKa)

9.10

Base Dissociation Constant (pKb)

-3.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

5511-0149 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Glucocorticoid receptors Library (4806 compounds)

Antibacterial Compounds Library (13827 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5511-0149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5511-0149?
Check Price and Availability of 5511-0149, 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 5511-0149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5511-0149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5511-0149
  • 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 5511-0149 available by request