L810-1172 Screening compound: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-fluoro-2-(morpholinocarbonyl)-1lambda~6~,4-benzothiazine-1,1(4H)-dione

L810-1172 Screening compound: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-fluoro-2-(morpholinocarbonyl)-1lambda~6~,4-benzothiazine-1,1(4H)-dione
L810-1172 Screening compound: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-fluoro-2-(morpholinocarbonyl)-1lambda~6~,4-benzothiazine-1,1(4H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound L810-1172
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-fluoro-2-(morpholinocarbonyl)-1lambda~6~,4-benzothiazine-1,1(4H)-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

L810-1172

Molecular Formula

C21H19FN2O6S (C21 H19 FN2 O6 S)

Compound Name

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-fluoro-2-(morpholinocarbonyl)-1lambda~6~,4-benzothiazine-1,1(4H)-dione

IUPAC name

4-(23-dihydro-14-benzodioxin-6-yl)-6-fluoro-2-(morpholine-4-carbonyl)-4H-1lambda64-benzothiazine-11-dione

SMILES

O=C(C1=CN(c(cc2)cc3c2OCCO3)c(cc(cc2)F)c2S1(=O)=O)N1CCOCC1

InChI

InChI=1S/C21H19FN2O6S/c22-14-1-4-19-16(11-14)24(15-2-3-17-18(12-15)30-10-9-29-17)13-20(31(19,26)27)21(25)23-5-7-28-8-6-23/h1-4,11-13H,5-10H2

InChI Key

SIUPOZLSIPCCMM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27476817

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.638

Distribution Coefficient, logD

0.638

Water Solubility, LogSw

-2.26

Polar Surface Area

71.330

Acid Dissociation Constant (pKa)

29.01

Base Dissociation Constant (pKb)

-0.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

L810-1172 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Nucleic Acid Ligands (8311 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with L810-1172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L810-1172?
Check Price and Availability of L810-1172, 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 L810-1172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L810-1172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L810-1172
  • 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 L810-1172 available by request