L810-0052 Screening compound: 4-(3-chloro-4-methylphenyl)-2-(1-pyrrolidinylcarbonyl)-1lambda~6~,4-benzothiazine-1,1(4H)-dione

L810-0052 Screening compound: 4-(3-chloro-4-methylphenyl)-2-(1-pyrrolidinylcarbonyl)-1lambda~6~,4-benzothiazine-1,1(4H)-dione
L810-0052 Screening compound: 4-(3-chloro-4-methylphenyl)-2-(1-pyrrolidinylcarbonyl)-1lambda~6~,4-benzothiazine-1,1(4H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound L810-0052
4-(3-chloro-4-methylphenyl)-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

L810-0052

Molecular Formula

C20H19ClN2O3S (C20 H19 ClN2 O3 S)

Compound Name

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

IUPAC name

4-(3-chloro-4-methylphenyl)-2-(pyrrolidine-1-carbonyl)-4H-1lambda64-benzothiazine-11-dione

SMILES

Cc(ccc(N(C=C1C(N2CCCC2)=O)c(cccc2)c2S1(=O)=O)c1)c1Cl

InChI

InChI=1S/C20H19ClN2O3S/c1-14-8-9-15(12-16(14)21)23-13-19(20(24)22-10-4-5-11-22)27(25,26)18-7-3-2-6-17(18)23/h2-3,6-9,12-13H,4-5,10-11H2,1H3

InChI Key

OCWWVNJHLPLFHC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18788917

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.9

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.401

Distribution Coefficient, logD

3.401

Water Solubility, LogSw

-3.64

Polar Surface Area

47.965

Acid Dissociation Constant (pKa)

27.85

Base Dissociation Constant (pKb)

-1.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

L810-0052 in Drug Discovery

Included in Screening Libraries

Nucleic Acid Ligands (8311 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 L810-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L810-0052?
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What is the minimum amount of L810-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L810-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L810-0052
  • 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 L810-0052 available by request