E534-0021 Screening compound: 1-(5-chloro-2-methylphenyl)-4-[(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]piperazine

E534-0021 Screening compound: 1-(5-chloro-2-methylphenyl)-4-[(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]piperazine
E534-0021 Screening compound: 1-(5-chloro-2-methylphenyl)-4-[(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E534-0021
1-(5-chloro-2-methylphenyl)-4-[(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]piperazine

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

E534-0021

Molecular Formula

C20H25ClN2S (C20 H25 ClN2 S)

Compound Name

1-(5-chloro-2-methylphenyl)-4-[(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]piperazine

IUPAC name

1-(5-chloro-2-methylphenyl)-4-[(4567-tetrahydro-1-benzothiophen-3-yl)methyl]piperazine

SMILES

Cc(ccc(Cl)c1)c1N1CCN(Cc2csc3c2CCCC3)CC1

InChI

InChI=1S/C20H25ClN2S/c1-15-6-7-17(21)12-19(15)23-10-8-22(9-11-23)13-16-14-24-20-5-3-2-4-18(16)20/h6-7,12,14H,2-5,8-11,13H2,1H3

InChI Key

MAMRINAEHUYPFU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14896255

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.95

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.553

Distribution Coefficient, logD

2.368

Water Solubility, LogSw

-5.86

Polar Surface Area

7.869

Acid Dissociation Constant (pKa)

26.03

Base Dissociation Constant (pKb)

10.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

E534-0021 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 E534-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E534-0021?
Check Price and Availability of E534-0021, 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 E534-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E534-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E534-0021
  • 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 E534-0021 available by request