5936-0095 Screening compound: ethyl 5-[3-(azepan-1-yl)-2-hydroxypropoxy]-2-methyl-1-(4-methylphenyl)-1H-indole-3-carboxylate

5936-0095 Screening compound: ethyl 5-[3-(azepan-1-yl)-2-hydroxypropoxy]-2-methyl-1-(4-methylphenyl)-1H-indole-3-carboxylate
5936-0095 Screening compound: ethyl 5-[3-(azepan-1-yl)-2-hydroxypropoxy]-2-methyl-1-(4-methylphenyl)-1H-indole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5936-0095
ethyl 5-[3-(azepan-1-yl)-2-hydroxypropoxy]-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

5936-0095

Molecular Formula

C28H36N2O4 (C28 H36 N2 O4)

Compound Name

ethyl 5-[3-(azepan-1-yl)-2-hydroxypropoxy]-2-methyl-1-(4-methylphenyl)-1H-indole-3-carboxylate

IUPAC name

ethyl 5-[3-(azepan-1-yl)-2-hydroxypropoxy]-2-methyl-1-(4-methylphenyl)-1H-indole-3-carboxylate

SMILES

CCOC(c(c1c2ccc(OCC(CN3CCCCCC3)O)c1)c(C)n2-c1ccc(C)cc1)=O

InChI

InChI=1S/C28H36N2O4/c1-4-33-28(32)27-21(3)30(22-11-9-20(2)10-12-22)26-14-13-24(17-25(26)27)34-19-23(31)18-29-15-7-5-6-8-16-29/h9-14,17,23,31H,4-8,15-16,18-19H2,1-3H3/t23-/m0/s1

InChI Key

ILLZANSUCOVAMF-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD03130482

Chemical and Physical Properties

Saltdata

HCl

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

5.511

Distribution Coefficient, logD

4.164

Water Solubility, LogSw

-5.31

Polar Surface Area

51.118

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

8.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.40

5936-0095 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

GPCR Targeted Library (31838 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
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 5936-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5936-0095?
Check Price and Availability of 5936-0095, 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 5936-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5936-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5936-0095
  • 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 5936-0095 available by request