E465-0229 Screening compound: N-{3-[benzyl(ethyl)amino]propyl}-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide

E465-0229 Screening compound: N-{3-[benzyl(ethyl)amino]propyl}-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide
E465-0229 Screening compound: N-{3-[benzyl(ethyl)amino]propyl}-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E465-0229
N-{3-[benzyl(ethyl)amino]propyl}-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide

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

E465-0229

Molecular Formula

C20H25N3O3S2 (C20 H25 N3 O3 S2)

Compound Name

N-{3-[benzyl(ethyl)amino]propyl}-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide

IUPAC name

N-{3-[benzyl(ethyl)amino]propyl}-3-oxo-34-dihydro-2H-14-benzothiazine-6-sulfonamide

SMILES

CCN(CCCNS(c(cc1)cc(N2)c1SCC2=O)(=O)=O)Cc1ccccc1

InChI

InChI=1S/C20H25N3O3S2/c1-2-23(14-16-7-4-3-5-8-16)12-6-11-21-28(25,26)17-9-10-19-18(13-17)22-20(24)15-27-19/h3-5,7-10,13,21H,2,6,11-12,14-15H2,1H3,(H,22,24)

InChI Key

QVNFRVIYCBSMOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14854397

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.606

Distribution Coefficient, logD

1.412

Water Solubility, LogSw

-3.05

Polar Surface Area

70.345

Acid Dissociation Constant (pKa)

11.02

Base Dissociation Constant (pKb)

8.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

E465-0229 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E465-0229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E465-0229?
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What is the minimum amount of E465-0229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E465-0229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E465-0229
  • 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 E465-0229 available by request