3788-0809 Screening compound: N-[4-(piperidine-1-sulfonyl)phenyl]-4-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]benzamide

3788-0809 Screening compound: N-[4-(piperidine-1-sulfonyl)phenyl]-4-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]benzamide
3788-0809 Screening compound: N-[4-(piperidine-1-sulfonyl)phenyl]-4-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3788-0809
N-[4-(piperidine-1-sulfonyl)phenyl]-4-[(1,2,3,4-tetrahydroisoquinolin-2-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

3788-0809

Molecular Formula

C28H31N3O3S (C28 H31 N3 O3 S)

Compound Name

N-[4-(piperidine-1-sulfonyl)phenyl]-4-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]benzamide

IUPAC name

N-[4-(piperidine-1-sulfonyl)phenyl]-4-[(1234-tetrahydroisoquinolin-2-yl)methyl]benzamide

SMILES

O=C(c1ccc(CN(CC2)Cc3c2cccc3)cc1)Nc(cc1)ccc1S(N1CCCCC1)(=O)=O

InChI

InChI=1S/C28H31N3O3S/c32-28(29-26-12-14-27(15-13-26)35(33,34)31-17-4-1-5-18-31)24-10-8-22(9-11-24)20-30-19-16-23-6-2-3-7-25(23)21-30/h2-3,6-15H,1,4-5,16-21H2,(H,29,32)

InChI Key

ZWLIOLNWONUVEB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02639986

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.64

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.540

Distribution Coefficient, logD

4.237

Water Solubility, LogSw

-4.23

Polar Surface Area

58.435

Acid Dissociation Constant (pKa)

8.67

Base Dissociation Constant (pKb)

7.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.10

3788-0809 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CNS Targets (44014 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 3788-0809 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3788-0809?
Check Price and Availability of 3788-0809, 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 3788-0809 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3788-0809
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3788-0809
  • 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 3788-0809 available by request