E966-1555 Screening compound: N-(2-chloro-4-methylphenyl)-1-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]piperidine-4-carboxamide

E966-1555 Screening compound: N-(2-chloro-4-methylphenyl)-1-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]piperidine-4-carboxamide
E966-1555 Screening compound: N-(2-chloro-4-methylphenyl)-1-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E966-1555
N-(2-chloro-4-methylphenyl)-1-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]piperidine-4-carboxamide

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

E966-1555

Molecular Formula

C22H24ClN3O4S2 (C22 H24 ClN3 O4 S2)

Compound Name

N-(2-chloro-4-methylphenyl)-1-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]piperidine-4-carboxamide

IUPAC name

N-(2-chloro-4-methylphenyl)-1-[(2-methyl-3-oxo-34-dihydro-2H-14-benzothiazin-6-yl)sulfonyl]piperidine-4-carboxamide

SMILES

CC1Sc(ccc(S(N(CC2)CCC2C(Nc(ccc(C)c2)c2Cl)=O)(=O)=O)c2)c2NC1=O

InChI

InChI=1S/C22H24ClN3O4S2/c1-13-3-5-18(17(23)11-13)24-22(28)15-7-9-26(10-8-15)32(29,30)16-4-6-20-19(12-16)25-21(27)14(2)31-20/h3-6,11-12,14-15H,7-10H2,1-2H3,(H,24,28)(H,25,27)/t14-/m1/s1

InChI Key

RTWNBHAWVXKYCX-CQSZACIVSA-N

MDL Number (MFCD)

MFCD14933892

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.04

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.903

Distribution Coefficient, logD

3.902

Water Solubility, LogSw

-4.13

Polar Surface Area

79.220

Acid Dissociation Constant (pKa)

10.07

Base Dissociation Constant (pKb)

-0.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

E966-1555 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Regenerative Medicine Focused Library (23016 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with E966-1555 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E966-1555?
Check Price and Availability of E966-1555, 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 E966-1555 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E966-1555
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E966-1555
  • 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 E966-1555 available by request