6658-0050 Screening compound: 1-[2-(4-methoxyphenyl)-1H-indol-1-yl]-3-(2-methylpiperidin-1-yl)propan-2-ol

6658-0050 Screening compound: 1-[2-(4-methoxyphenyl)-1H-indol-1-yl]-3-(2-methylpiperidin-1-yl)propan-2-ol
6658-0050 Screening compound: 1-[2-(4-methoxyphenyl)-1H-indol-1-yl]-3-(2-methylpiperidin-1-yl)propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 6658-0050
1-[2-(4-methoxyphenyl)-1H-indol-1-yl]-3-(2-methylpiperidin-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

6658-0050

Molecular Formula

C24H30N2O2 (C24 H30 N2 O2)

Compound Name

1-[2-(4-methoxyphenyl)-1H-indol-1-yl]-3-(2-methylpiperidin-1-yl)propan-2-ol

IUPAC name

1-[2-(4-methoxyphenyl)-1H-indol-1-yl]-3-(2-methylpiperidin-1-yl)propan-2-ol

SMILES

CC1N(CC(Cn(c(-c(cc2)ccc2OC)c2)c3c2cccc3)O)CCCC1

InChI

InChI=1S/C24H30N2O2/c1-18-7-5-6-14-25(18)16-21(27)17-26-23-9-4-3-8-20(23)15-24(26)19-10-12-22(28-2)13-11-19/h3-4,8-13,15,18,21,27H,5-7,14,16-17H2,1-2H3

InChI Key

GAUGLBVEJRYEEX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03644444

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.51

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.712

Distribution Coefficient, logD

3.134

Water Solubility, LogSw

-4.98

Polar Surface Area

28.039

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

8.97

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.70

6658-0050 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

CNS BBB Library (22607 compounds)

MCL1 Targeted Library (12200 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 6658-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6658-0050?
Check Price and Availability of 6658-0050, 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 6658-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6658-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6658-0050
  • 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 6658-0050 available by request