E589-1948 Screening compound: N-[2-(4-methylphenyl)ethyl]-2-[3-oxo-6-(piperidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide

E589-1948 Screening compound: N-[2-(4-methylphenyl)ethyl]-2-[3-oxo-6-(piperidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide
E589-1948 Screening compound: N-[2-(4-methylphenyl)ethyl]-2-[3-oxo-6-(piperidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E589-1948
N-[2-(4-methylphenyl)ethyl]-2-[3-oxo-6-(piperidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide

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

E589-1948

Molecular Formula

C24H29N3O4S2 (C24 H29 N3 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(CCNC(CN2c(cc(cc3)S(N4CCCCC4)(=O)=O)c3SCC2=O)=O)cc1

InChI

InChI=1S/C24H29N3O4S2/c1-18-5-7-19(8-6-18)11-12-25-23(28)16-27-21-15-20(9-10-22(21)32-17-24(27)29)33(30,31)26-13-3-2-4-14-26/h5-10,15H,2-4,11-14,16-17H2,1H3,(H,25,28)

InChI Key

RLFNYNTVHGHZFJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14900566

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.64

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.974

Distribution Coefficient, logD

2.974

Water Solubility, LogSw

-3.51

Polar Surface Area

71.643

Acid Dissociation Constant (pKa)

14.37

Base Dissociation Constant (pKb)

0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

References: we are preparing a list of scientific research reports with E589-1948 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E589-1948?
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What is the minimum amount of E589-1948 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E589-1948
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E589-1948
  • 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 E589-1948 available by request