3788-1727 Screening compound: N-(2-{[(4-chlorophenyl)methyl]sulfanyl}ethyl)-4-[(4-phenylpiperazin-1-yl)methyl]benzamide

3788-1727 Screening compound: N-(2-{[(4-chlorophenyl)methyl]sulfanyl}ethyl)-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
3788-1727 Screening compound: N-(2-{[(4-chlorophenyl)methyl]sulfanyl}ethyl)-4-[(4-phenylpiperazin-1-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3788-1727
N-(2-{[(4-chlorophenyl)methyl]sulfanyl}ethyl)-4-[(4-phenylpiperazin-1-yl)methyl]benzamide

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

3788-1727

Molecular Formula

C27H30ClN3OS (C27 H30 ClN3 OS)

Compound Name

N-(2-{[(4-chlorophenyl)methyl]sulfanyl}ethyl)-4-[(4-phenylpiperazin-1-yl)methyl]benzamide

IUPAC name

N-(2-{[(4-chlorophenyl)methyl]sulfanyl}ethyl)-4-[(4-phenylpiperazin-1-yl)methyl]benzamide

SMILES

O=C(c1ccc(CN(CC2)CCN2c2ccccc2)cc1)NCCSCc(cc1)ccc1Cl

InChI

InChI=1S/C27H30ClN3OS/c28-25-12-8-23(9-13-25)21-33-19-14-29-27(32)24-10-6-22(7-11-24)20-30-15-17-31(18-16-30)26-4-2-1-3-5-26/h1-13H,14-21H2,(H,29,32)

InChI Key

FWKVPPDQCQRNMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02639761

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.07

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.812

Distribution Coefficient, logD

4.743

Water Solubility, LogSw

-5.02

Polar Surface Area

31.486

Acid Dissociation Constant (pKa)

13.05

Base Dissociation Constant (pKb)

6.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

3788-1727 in Drug Discovery

Included in Screening Libraries

Glucocorticoid receptors Library (4806 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3788-1727 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3788-1727?
Check Price and Availability of 3788-1727, 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 3788-1727 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3788-1727
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3788-1727
  • 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 3788-1727 available by request