L810-0429 Screening compound: 6-chloro-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-pyrrolidinylcarbonyl)-1lambda~6~,4-benzothiazine-1,1(4H)-dione

L810-0429 Screening compound: 6-chloro-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-pyrrolidinylcarbonyl)-1lambda~6~,4-benzothiazine-1,1(4H)-dione
L810-0429 Screening compound: 6-chloro-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-pyrrolidinylcarbonyl)-1lambda~6~,4-benzothiazine-1,1(4H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound L810-0429
6-chloro-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-pyrrolidinylcarbonyl)-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

L810-0429

Molecular Formula

C21H19ClN2O5S (C21 H19 ClN2 O5 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(C1=CN(c(cc2)cc3c2OCCO3)c(cc(cc2)Cl)c2S1(=O)=O)N1CCCC1

InChI

InChI=1S/C21H19ClN2O5S/c22-14-3-6-19-16(11-14)24(15-4-5-17-18(12-15)29-10-9-28-17)13-20(30(19,26)27)21(25)23-7-1-2-8-23/h3-6,11-13H,1-2,7-10H2

InChI Key

PWEFDNMAMJADOB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18788945

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.91

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.983

Distribution Coefficient, logD

1.983

Water Solubility, LogSw

-2.89

Polar Surface Area

63.788

Acid Dissociation Constant (pKa)

27.85

Base Dissociation Constant (pKb)

-1.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

L810-0429 in Drug Discovery

Included in Screening Libraries

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 L810-0429 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L810-0429?
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What is the minimum amount of L810-0429 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L810-0429
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L810-0429
  • 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 L810-0429 available by request