E959-1662 Screening compound: 1-[(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]-N-[2-(thiophen-2-yl)ethyl]piperidine-4-carboxamide

E959-1662 Screening compound: 1-[(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]-N-[2-(thiophen-2-yl)ethyl]piperidine-4-carboxamide
E959-1662 Screening compound: 1-[(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 E959-1662
1-[(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

E959-1662

Molecular Formula

C20H23N3O4S3 (C20 H23 N3 O4 S3)

Compound Name

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

IUPAC name

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

SMILES

O=C(C(CC1)CCN1S(c(cc1)cc(N2)c1SCC2=O)(=O)=O)NCCc1cccs1

InChI

InChI=1S/C20H23N3O4S3/c24-19-13-29-18-4-3-16(12-17(18)22-19)30(26,27)23-9-6-14(7-10-23)20(25)21-8-5-15-2-1-11-28-15/h1-4,11-12,14H,5-10,13H2,(H,21,25)(H,22,24)

InChI Key

XPHZNOVMSPVOLT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14933332

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.62

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

1.881

Distribution Coefficient, logD

1.880

Water Solubility, LogSw

-2.68

Polar Surface Area

82.043

Acid Dissociation Constant (pKa)

11.87

Base Dissociation Constant (pKb)

0.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with E959-1662 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E959-1662?
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What is the minimum amount of E959-1662 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E959-1662
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E959-1662
  • 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 E959-1662 available by request