E966-1657 Screening compound: 1-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]-N-[2-(thiophen-2-yl)ethyl]piperidine-4-carboxamide

E966-1657 Screening compound: 1-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]-N-[2-(thiophen-2-yl)ethyl]piperidine-4-carboxamide
E966-1657 Screening compound: 1-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]-N-[2-(thiophen-2-yl)ethyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E966-1657
1-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]-N-[2-(thiophen-2-yl)ethyl]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

E966-1657

Molecular Formula

C21H25N3O4S3 (C21 H25 N3 O4 S3)

Compound Name

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

IUPAC name

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

SMILES

CC1Sc(ccc(S(N(CC2)CCC2C(NCCc2cccs2)=O)(=O)=O)c2)c2NC1=O

InChI

InChI=1S/C21H25N3O4S3/c1-14-20(25)23-18-13-17(4-5-19(18)30-14)31(27,28)24-10-7-15(8-11-24)21(26)22-9-6-16-3-2-12-29-16/h2-5,12-15H,6-11H2,1H3,(H,22,26)(H,23,25)/t14-/m1/s1

InChI Key

VSLLNPURTDKJLR-CQSZACIVSA-N

MDL Number (MFCD)

MFCD14933917

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.65

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.702

Distribution Coefficient, logD

2.702

Water Solubility, LogSw

-3.27

Polar Surface Area

82.100

Acid Dissociation Constant (pKa)

11.79

Base Dissociation Constant (pKb)

0.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with E966-1657 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E966-1657?
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What is the minimum amount of E966-1657 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E966-1657
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E966-1657
  • 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 E966-1657 available by request