L592-0453 Screening compound: N-[(furan-2-yl)methyl]-2-[3-oxo-2-(pyrrolidine-1-carbonyl)-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide

L592-0453 Screening compound: N-[(furan-2-yl)methyl]-2-[3-oxo-2-(pyrrolidine-1-carbonyl)-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide
L592-0453 Screening compound: N-[(furan-2-yl)methyl]-2-[3-oxo-2-(pyrrolidine-1-carbonyl)-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L592-0453
N-[(furan-2-yl)methyl]-2-[3-oxo-2-(pyrrolidine-1-carbonyl)-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

L592-0453

Molecular Formula

C20H21N3O4S (C20 H21 N3 O4 S)

Compound Name

N-[(furan-2-yl)methyl]-2-[3-oxo-2-(pyrrolidine-1-carbonyl)-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide

IUPAC name

N-[(furan-2-yl)methyl]-2-[3-oxo-2-(pyrrolidine-1-carbonyl)-34-dihydro-2H-14-benzothiazin-4-yl]acetamide

SMILES

O=C(CN1c(cccc2)c2SC(C(N2CCCC2)=O)C1=O)NCc1ccco1

InChI

InChI=1S/C20H21N3O4S/c24-17(21-12-14-6-5-11-27-14)13-23-15-7-1-2-8-16(15)28-18(20(23)26)19(25)22-9-3-4-10-22/h1-2,5-8,11,18H,3-4,9-10,12-13H2,(H,21,24)/t18-/m0/s1

InChI Key

MVTVCIGHUAWOEJ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD15131587

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.262

Distribution Coefficient, logD

2.262

Water Solubility, LogSw

-2.65

Polar Surface Area

64.576

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

-1.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

L592-0453 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

CNS MPO Library (28609 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • 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 L592-0453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L592-0453?
Check Price and Availability of L592-0453, 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 L592-0453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L592-0453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L592-0453
  • 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 L592-0453 available by request