L810-0432 Screening compound: 3-[6-fluoro-1,1-dioxo-2-(1-pyrrolidinylcarbonyl)-1lambda~6~,4-benzothiazin-4(1H)-yl]benzonitrile

L810-0432 Screening compound: 3-[6-fluoro-1,1-dioxo-2-(1-pyrrolidinylcarbonyl)-1lambda~6~,4-benzothiazin-4(1H)-yl]benzonitrile
L810-0432 Screening compound: 3-[6-fluoro-1,1-dioxo-2-(1-pyrrolidinylcarbonyl)-1lambda~6~,4-benzothiazin-4(1H)-yl]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound L810-0432
3-[6-fluoro-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

L810-0432

Molecular Formula

C20H16FN3O3S (C20 H16 FN3 O3 S)

Compound Name

3-[6-fluoro-1,1-dioxo-2-(1-pyrrolidinylcarbonyl)-1lambda~6~,4-benzothiazin-4(1H)-yl]benzonitrile

IUPAC name

3-[6-fluoro-11-dioxo-2-(pyrrolidine-1-carbonyl)-4H-1lambda64-benzothiazin-4-yl]benzonitrile

SMILES

N#Cc1cccc(N(C=C2C(N3CCCC3)=O)c(cc(cc3)F)c3S2(=O)=O)c1

InChI

InChI=1S/C20H16FN3O3S/c21-15-6-7-18-17(11-15)24(16-5-3-4-14(10-16)12-22)13-19(28(18,26)27)20(25)23-8-1-2-9-23/h3-7,10-11,13H,1-2,8-9H2

InChI Key

ZCJFPNBQNBRTTP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27476755

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.43

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

2.088

Distribution Coefficient, logD

2.088

Water Solubility, LogSw

-2.67

Polar Surface Area

65.021

Acid Dissociation Constant (pKa)

27.85

Base Dissociation Constant (pKb)

-3.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

L810-0432 in Drug Discovery

Included in Screening Libraries

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

RAR (Nuclear receptors) Ligands Library (6524 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 L810-0432 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L810-0432?
Check Price and Availability of L810-0432, 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 L810-0432 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L810-0432
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L810-0432
  • 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 L810-0432 available by request