L592-2040 Screening compound: 2-[2-(azepane-1-carbonyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide

L592-2040 Screening compound: 2-[2-(azepane-1-carbonyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide
L592-2040 Screening compound: 2-[2-(azepane-1-carbonyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L592-2040
2-[2-(azepane-1-carbonyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-[(2H-1,3-benzodioxol-5-yl)methyl]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

L592-2040

Molecular Formula

C25H27N3O5S (C25 H27 N3 O5 S)

Compound Name

2-[2-(azepane-1-carbonyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide

IUPAC name

2-[2-(azepane-1-carbonyl)-3-oxo-34-dihydro-2H-14-benzothiazin-4-yl]-N-[(2H-13-benzodioxol-5-yl)methyl]acetamide

SMILES

O=C(CN1c(cccc2)c2SC(C(N2CCCCCC2)=O)C1=O)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C25H27N3O5S/c29-22(26-14-17-9-10-19-20(13-17)33-16-32-19)15-28-18-7-3-4-8-21(18)34-23(25(28)31)24(30)27-11-5-1-2-6-12-27/h3-4,7-10,13,23H,1-2,5-6,11-12,14-16H2,(H,26,29)/t23-/m0/s1

InChI Key

RPGKIFFOXCSITI-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD15131755

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.57

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

3.135

Distribution Coefficient, logD

3.135

Water Solubility, LogSw

-3.44

Polar Surface Area

73.907

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

5.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

L592-2040 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L592-2040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L592-2040?
Check Price and Availability of L592-2040, 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 L592-2040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L592-2040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L592-2040
  • 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 L592-2040 available by request