E018-2295 Screening compound: 3-[(4-chlorophenyl)sulfanyl]-2-(3,5-dimethylpiperidine-1-carbonyl)-6-methoxy-1H-indole

E018-2295 Screening compound: 3-[(4-chlorophenyl)sulfanyl]-2-(3,5-dimethylpiperidine-1-carbonyl)-6-methoxy-1H-indole
E018-2295 Screening compound: 3-[(4-chlorophenyl)sulfanyl]-2-(3,5-dimethylpiperidine-1-carbonyl)-6-methoxy-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound E018-2295
3-[(4-chlorophenyl)sulfanyl]-2-(3,5-dimethylpiperidine-1-carbonyl)-6-methoxy-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

E018-2295

Molecular Formula

C23H25ClN2O2S (C23 H25 ClN2 O2 S)

Compound Name

3-[(4-chlorophenyl)sulfanyl]-2-(3,5-dimethylpiperidine-1-carbonyl)-6-methoxy-1H-indole

IUPAC name

3-[(4-chlorophenyl)sulfanyl]-2-(35-dimethylpiperidine-1-carbonyl)-6-methoxy-1H-indole

SMILES

CC(CC(C)C1)CN1C(c([nH]c1c2ccc(OC)c1)c2Sc(cc1)ccc1Cl)=O

InChI

InChI=1S/C23H25ClN2O2S/c1-14-10-15(2)13-26(12-14)23(27)21-22(29-18-7-4-16(24)5-8-18)19-9-6-17(28-3)11-20(19)25-21/h4-9,11,14-15,25H,10,12-13H2,1-3H3

InChI Key

CIGPFBMMZHNKTE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14839455

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.98

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.062

Distribution Coefficient, logD

6.062

Water Solubility, LogSw

-6.25

Polar Surface Area

34.145

Acid Dissociation Constant (pKa)

15.24

Base Dissociation Constant (pKb)

-1.59

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

34.80

E018-2295 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E018-2295 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E018-2295?
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What is the minimum amount of E018-2295 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E018-2295
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E018-2295
  • 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 E018-2295 available by request