3788-2254 Screening compound: 1-benzyl-4-(4-{[(4-chlorophenyl)sulfanyl]methyl}benzoyl)piperazine

3788-2254 Screening compound: 1-benzyl-4-(4-{[(4-chlorophenyl)sulfanyl]methyl}benzoyl)piperazine
3788-2254 Screening compound: 1-benzyl-4-(4-{[(4-chlorophenyl)sulfanyl]methyl}benzoyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3788-2254
1-benzyl-4-(4-{[(4-chlorophenyl)sulfanyl]methyl}benzoyl)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

3788-2254

Molecular Formula

C25H25ClN2OS (C25 H25 ClN2 OS)

Compound Name

1-benzyl-4-(4-{[(4-chlorophenyl)sulfanyl]methyl}benzoyl)piperazine

IUPAC name

1-benzyl-4-(4-{[(4-chlorophenyl)sulfanyl]methyl}benzoyl)piperazine

SMILES

O=C(c1ccc(CSc(cc2)ccc2Cl)cc1)N1CCN(Cc2ccccc2)CC1

InChI

InChI=1S/C25H25ClN2OS/c26-23-10-12-24(13-11-23)30-19-21-6-8-22(9-7-21)25(29)28-16-14-27(15-17-28)18-20-4-2-1-3-5-20/h1-13H,14-19H2

InChI Key

ZXJKDTHJZNLGNL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01964642

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.01

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.655

Distribution Coefficient, logD

4.639

Water Solubility, LogSw

-5.00

Polar Surface Area

20.156

Acid Dissociation Constant (pKa)

28.54

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

3788-2254 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

MCL1 Targeted Library (12200 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with 3788-2254 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3788-2254?
Check Price and Availability of 3788-2254, 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 3788-2254 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3788-2254
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3788-2254
  • 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 3788-2254 available by request