6658-0051 Screening compound: ethyl 5-[2-hydroxy-3-(2-methylpiperidin-1-yl)propoxy]-2-methyl-1-(4-methylphenyl)-1H-indole-3-carboxylate

6658-0051 Screening compound: ethyl 5-[2-hydroxy-3-(2-methylpiperidin-1-yl)propoxy]-2-methyl-1-(4-methylphenyl)-1H-indole-3-carboxylate
6658-0051 Screening compound: ethyl 5-[2-hydroxy-3-(2-methylpiperidin-1-yl)propoxy]-2-methyl-1-(4-methylphenyl)-1H-indole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6658-0051
ethyl 5-[2-hydroxy-3-(2-methylpiperidin-1-yl)propoxy]-2-methyl-1-(4-methylphenyl)-1H-indole-3-carboxylate

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

6658-0051

Molecular Formula

C28H36N2O4 (C28 H36 N2 O4)

Compound Name

ethyl 5-[2-hydroxy-3-(2-methylpiperidin-1-yl)propoxy]-2-methyl-1-(4-methylphenyl)-1H-indole-3-carboxylate

IUPAC name

ethyl 5-[2-hydroxy-3-(2-methylpiperidin-1-yl)propoxy]-2-methyl-1-(4-methylphenyl)-1H-indole-3-carboxylate

SMILES

CCOC(c(c1c2ccc(OCC(CN3C(C)CCCC3)O)c1)c(C)n2-c1ccc(C)cc1)=O

InChI

InChI=1S/C28H36N2O4/c1-5-33-28(32)27-21(4)30(22-11-9-19(2)10-12-22)26-14-13-24(16-25(26)27)34-18-23(31)17-29-15-7-6-8-20(29)3/h9-14,16,20,23,31H,5-8,15,17-18H2,1-4H3

InChI Key

MTJUAQXHZQBOCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03644445

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.120

Distribution Coefficient, logD

3.503

Water Solubility, LogSw

-5.08

Polar Surface Area

50.238

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

9.01

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

46.40

6658-0051 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

CNS Targets (44014 compounds)

MCL1 Targeted Library (12200 compounds)

Targeted Diversity Library (40567 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 6658-0051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6658-0051?
Check Price and Availability of 6658-0051, 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 6658-0051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6658-0051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6658-0051
  • 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 6658-0051 available by request