6913-0018 Screening compound: ethyl 5-[2-hydroxy-3-(2-methylpiperidin-1-yl)propoxy]-1,2-dimethyl-1H-indole-3-carboxylate

6913-0018 Screening compound: ethyl 5-[2-hydroxy-3-(2-methylpiperidin-1-yl)propoxy]-1,2-dimethyl-1H-indole-3-carboxylate
6913-0018 Screening compound: ethyl 5-[2-hydroxy-3-(2-methylpiperidin-1-yl)propoxy]-1,2-dimethyl-1H-indole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6913-0018
ethyl 5-[2-hydroxy-3-(2-methylpiperidin-1-yl)propoxy]-1,2-dimethyl-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

6913-0018

Molecular Formula

C22H32N2O4 (C22 H32 N2 O4)

Compound Name

ethyl 5-[2-hydroxy-3-(2-methylpiperidin-1-yl)propoxy]-1,2-dimethyl-1H-indole-3-carboxylate

IUPAC name

ethyl 5-[2-hydroxy-3-(2-methylpiperidin-1-yl)propoxy]-12-dimethyl-1H-indole-3-carboxylate

SMILES

CCOC(c1c(C)n(C)c(cc2)c1cc2OCC(CN1C(C)CCCC1)O)=O

InChI

InChI=1S/C22H32N2O4/c1-5-27-22(26)21-16(3)23(4)20-10-9-18(12-19(20)21)28-14-17(25)13-24-11-7-6-8-15(24)2/h9-10,12,15,17,25H,5-8,11,13-14H2,1-4H3

InChI Key

CWLFZNJWZKXXNH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04152332

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.067

Distribution Coefficient, logD

1.451

Water Solubility, LogSw

-3.03

Polar Surface Area

50.576

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

9.01

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

59.10

6913-0018 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Targeted Diversity Library (40567 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 6913-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6913-0018?
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What is the minimum amount of 6913-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6913-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6913-0018
  • 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 6913-0018 available by request