5954-5319 Screening compound: 2-benzyl-3-[4-(2-morpholino-2-oxoethoxy)phenyl]-3,4-dihydro-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione

5954-5319 Screening compound: 2-benzyl-3-[4-(2-morpholino-2-oxoethoxy)phenyl]-3,4-dihydro-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione
5954-5319 Screening compound: 2-benzyl-3-[4-(2-morpholino-2-oxoethoxy)phenyl]-3,4-dihydro-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5954-5319
2-benzyl-3-[4-(2-morpholino-2-oxoethoxy)phenyl]-3,4-dihydro-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione

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

5954-5319

Molecular Formula

C26H27N3O5S (C26 H27 N3 O5 S)

Compound Name

2-benzyl-3-[4-(2-morpholino-2-oxoethoxy)phenyl]-3,4-dihydro-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione

IUPAC name

2-benzyl-3-{4-[2-(morpholin-4-yl)-2-oxoethoxy]phenyl}-34-dihydro-2H-1lambda624-benzothiadiazine-11-dione

SMILES

O=C(COc1ccc(C(Nc2c3cccc2)N(Cc2ccccc2)S3(=O)=O)cc1)N1CCOCC1

InChI

InChI=1S/C26H27N3O5S/c30-25(28-14-16-33-17-15-28)19-34-22-12-10-21(11-13-22)26-27-23-8-4-5-9-24(23)35(31,32)29(26)18-20-6-2-1-3-7-20/h1-13,26-27H,14-19H2/t26-/m0/s1

InChI Key

VOZFETCGHMCHIX-SANMLTNESA-N

MDL Number (MFCD)

MFCD03828307

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.649

Distribution Coefficient, logD

2.649

Water Solubility, LogSw

-3.09

Polar Surface Area

74.564

Acid Dissociation Constant (pKa)

17.40

Base Dissociation Constant (pKb)

-1.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.92

5954-5319 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 5954-5319 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5954-5319?
Check Price and Availability of 5954-5319, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5954-5319 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5954-5319
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5954-5319
  • 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 5954-5319 available by request