L810-0437 Screening compound: 4-[6-chloro-1,1-dioxo-2-(1-pyrrolidinylcarbonyl)-1lambda~6~,4-benzothiazin-4(1H)-yl]benzonitrile

L810-0437 Screening compound: 4-[6-chloro-1,1-dioxo-2-(1-pyrrolidinylcarbonyl)-1lambda~6~,4-benzothiazin-4(1H)-yl]benzonitrile
L810-0437 Screening compound: 4-[6-chloro-1,1-dioxo-2-(1-pyrrolidinylcarbonyl)-1lambda~6~,4-benzothiazin-4(1H)-yl]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound L810-0437
4-[6-chloro-1,1-dioxo-2-(1-pyrrolidinylcarbonyl)-1lambda~6~,4-benzothiazin-4(1H)-yl]benzonitrile

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

L810-0437

Molecular Formula

C20H16ClN3O3S (C20 H16 ClN3 O3 S)

Compound Name

4-[6-chloro-1,1-dioxo-2-(1-pyrrolidinylcarbonyl)-1lambda~6~,4-benzothiazin-4(1H)-yl]benzonitrile

IUPAC name

4-[6-chloro-11-dioxo-2-(pyrrolidine-1-carbonyl)-4H-1lambda64-benzothiazin-4-yl]benzonitrile

SMILES

N#Cc(cc1)ccc1N(C=C1C(N2CCCC2)=O)c(cc(cc2)Cl)c2S1(=O)=O

InChI

InChI=1S/C20H16ClN3O3S/c21-15-5-8-18-17(11-15)24(16-6-3-14(12-22)4-7-16)13-19(28(18,26)27)20(25)23-9-1-2-10-23/h3-8,11,13H,1-2,9-10H2

InChI Key

KGKQCSHAKATAMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22590731

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.88

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.527

Distribution Coefficient, logD

2.527

Water Solubility, LogSw

-3.23

Polar Surface Area

65.021

Acid Dissociation Constant (pKa)

27.85

Base Dissociation Constant (pKb)

-4.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

L810-0437 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L810-0437 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L810-0437?
Check Price and Availability of L810-0437, 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 L810-0437 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L810-0437
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L810-0437
  • 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 L810-0437 available by request