T378-0002 Screening compound: N~1~-[1-(4-methyl-1,1-dioxo-5-phenyl-1H-1lambda~6~-isothiazol-3-yl)-4-piperidyl]-1-benzenesulfonamide

T378-0002 Screening compound: N~1~-[1-(4-methyl-1,1-dioxo-5-phenyl-1H-1lambda~6~-isothiazol-3-yl)-4-piperidyl]-1-benzenesulfonamide
T378-0002 Screening compound: N~1~-[1-(4-methyl-1,1-dioxo-5-phenyl-1H-1lambda~6~-isothiazol-3-yl)-4-piperidyl]-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T378-0002
N~1~-[1-(4-methyl-1,1-dioxo-5-phenyl-1H-1lambda~6~-isothiazol-3-yl)-4-piperidyl]-1-benzenesulfonamide

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

T378-0002

Molecular Formula

C21H23N3O4S2 (C21 H23 N3 O4 S2)

Compound Name

N~1~-[1-(4-methyl-1,1-dioxo-5-phenyl-1H-1lambda~6~-isothiazol-3-yl)-4-piperidyl]-1-benzenesulfonamide

IUPAC name

N-[1-(4-methyl-11-dioxo-5-phenyl-1lambda62-thiazol-3-yl)piperidin-4-yl]benzenesulfonamide

SMILES

CC(C(N(CC1)CCC1NS(c1ccccc1)(=O)=O)=N1)=C(c2ccccc2)S1(=O)=O

InChI

InChI=1S/C21H23N3O4S2/c1-16-20(17-8-4-2-5-9-17)30(27,28)23-21(16)24-14-12-18(13-15-24)22-29(25,26)19-10-6-3-7-11-19/h2-11,18,22H,12-15H2,1H3

InChI Key

FARQQVJNMKVNTD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27618925

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.141

Distribution Coefficient, logD

3.141

Water Solubility, LogSw

-3.32

Polar Surface Area

84.635

Acid Dissociation Constant (pKa)

11.28

Base Dissociation Constant (pKb)

-2.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

T378-0002 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with T378-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T378-0002?
Check Price and Availability of T378-0002, 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 T378-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T378-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T378-0002
  • 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 T378-0002 available by request