E966-1487 Screening compound: N-[(4-chlorophenyl)methyl]-1-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]piperidine-4-carboxamide

E966-1487 Screening compound: N-[(4-chlorophenyl)methyl]-1-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]piperidine-4-carboxamide
E966-1487 Screening compound: N-[(4-chlorophenyl)methyl]-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 E966-1487
N-[(4-chlorophenyl)methyl]-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

E966-1487

Molecular Formula

C22H24ClN3O4S2 (C22 H24 ClN3 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

CC1Sc(ccc(S(N(CC2)CCC2C(NCc(cc2)ccc2Cl)=O)(=O)=O)c2)c2NC1=O

InChI

InChI=1S/C22H24ClN3O4S2/c1-14-21(27)25-19-12-18(6-7-20(19)31-14)32(29,30)26-10-8-16(9-11-26)22(28)24-13-15-2-4-17(23)5-3-15/h2-7,12,14,16H,8-11,13H2,1H3,(H,24,28)(H,25,27)/t14-/m1/s1

InChI Key

XIBAJIHGJUODGZ-CQSZACIVSA-N

MDL Number (MFCD)

MFCD14933867

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

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.164

Distribution Coefficient, logD

3.164

Water Solubility, LogSw

-3.65

Polar Surface Area

81.240

Acid Dissociation Constant (pKa)

11.79

Base Dissociation Constant (pKb)

-2.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

E966-1487 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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

References: we are preparing a list of scientific research reports with E966-1487 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E966-1487?
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What is the minimum amount of E966-1487 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E966-1487
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E966-1487
  • 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 E966-1487 available by request