E018-0614 Screening compound: 3-[(4-chlorophenyl)sulfanyl]-2-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1H-indole

E018-0614 Screening compound: 3-[(4-chlorophenyl)sulfanyl]-2-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1H-indole
E018-0614 Screening compound: 3-[(4-chlorophenyl)sulfanyl]-2-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound E018-0614
3-[(4-chlorophenyl)sulfanyl]-2-[3-methyl-4-(3-methylphenyl)piperazine-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

E018-0614

Molecular Formula

C27H26ClN3OS (C27 H26 ClN3 OS)

Compound Name

3-[(4-chlorophenyl)sulfanyl]-2-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1H-indole

IUPAC name

3-[(4-chlorophenyl)sulfanyl]-2-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1H-indole

SMILES

CC(CN(CC1)C(c([nH]c2c3cccc2)c3Sc(cc2)ccc2Cl)=O)N1c1cc(C)ccc1

InChI

InChI=1S/C27H26ClN3OS/c1-18-6-5-7-21(16-18)31-15-14-30(17-19(31)2)27(32)25-26(23-8-3-4-9-24(23)29-25)33-22-12-10-20(28)11-13-22/h3-13,16,19,29H,14-15,17H2,1-2H3/t19-/m0/s1

InChI Key

QQSRKNFNZRFKCO-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14839199

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.04

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.429

Distribution Coefficient, logD

6.429

Water Solubility, LogSw

-6.26

Polar Surface Area

29.213

Acid Dissociation Constant (pKa)

15.09

Base Dissociation Constant (pKb)

6.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with E018-0614 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E018-0614?
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What is the minimum amount of E018-0614 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E018-0614
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E018-0614
  • 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 E018-0614 available by request