E018-0629 Screening compound: 3-[(4-chlorophenyl)sulfanyl]-2-(3,5-dimethylpiperidine-1-carbonyl)-1H-indole

E018-0629 Screening compound: 3-[(4-chlorophenyl)sulfanyl]-2-(3,5-dimethylpiperidine-1-carbonyl)-1H-indole
E018-0629 Screening compound: 3-[(4-chlorophenyl)sulfanyl]-2-(3,5-dimethylpiperidine-1-carbonyl)-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound E018-0629
3-[(4-chlorophenyl)sulfanyl]-2-(3,5-dimethylpiperidine-1-carbonyl)-1H-indole

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

E018-0629

Molecular Formula

C22H23ClN2OS (C22 H23 ClN2 OS)

Compound Name

3-[(4-chlorophenyl)sulfanyl]-2-(3,5-dimethylpiperidine-1-carbonyl)-1H-indole

IUPAC name

3-[(4-chlorophenyl)sulfanyl]-2-(35-dimethylpiperidine-1-carbonyl)-1H-indole

SMILES

CC(CC(C)C1)CN1C(c([nH]c1c2cccc1)c2Sc(cc1)ccc1Cl)=O

InChI

InChI=1S/C22H23ClN2OS/c1-14-11-15(2)13-25(12-14)22(26)20-21(18-5-3-4-6-19(18)24-20)27-17-9-7-16(23)8-10-17/h3-10,14-15,24H,11-13H2,1-2H3

InChI Key

NCOORLNJPQQOFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14839206

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.96

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.795

Distribution Coefficient, logD

5.795

Water Solubility, LogSw

-6.10

Polar Surface Area

26.602

Acid Dissociation Constant (pKa)

15.09

Base Dissociation Constant (pKb)

-1.59

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.80

References: we are preparing a list of scientific research reports with E018-0629 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E018-0629?
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What is the minimum amount of E018-0629 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E018-0629
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E018-0629
  • 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 E018-0629 available by request