5223-5613 Screening compound: 1-(5,7-dimethyl-2,3-diphenyl-1H-indol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol

5223-5613 Screening compound: 1-(5,7-dimethyl-2,3-diphenyl-1H-indol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
5223-5613 Screening compound: 1-(5,7-dimethyl-2,3-diphenyl-1H-indol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 5223-5613
1-(5,7-dimethyl-2,3-diphenyl-1H-indol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol

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

5223-5613

Molecular Formula

C31H37N3O2 (C31 H37 N3 O2)

Compound Name

1-(5,7-dimethyl-2,3-diphenyl-1H-indol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol

IUPAC name

1-(57-dimethyl-23-diphenyl-1H-indol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol

SMILES

Cc(cc12)cc(C)c1n(CC(CN1CCN(CCO)CC1)O)c(-c1ccccc1)c2-c1ccccc1

InChI

InChI=1S/C31H37N3O2/c1-23-19-24(2)30-28(20-23)29(25-9-5-3-6-10-25)31(26-11-7-4-8-12-26)34(30)22-27(36)21-33-15-13-32(14-16-33)17-18-35/h3-12,19-20,27,35-36H,13-18,21-22H2,1-2H3/t27-/m1/s1

InChI Key

AZIGWLHAHSFDBH-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD03644425

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

483.65

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.086

Distribution Coefficient, logD

4.672

Water Solubility, LogSw

-5.00

Polar Surface Area

40.771

Acid Dissociation Constant (pKa)

14.97

Base Dissociation Constant (pKb)

7.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.50

5223-5613 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

GPCR Targeted Library (31838 compounds)

MCL1 Targeted Library (12200 compounds)

Regenerative Medicine Focused Library (23016 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 5223-5613 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5223-5613?
Check Price and Availability of 5223-5613, 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 5223-5613 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5223-5613
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5223-5613
  • 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 5223-5613 available by request