L811-0103 Screening compound: methyl 4-(4-ethylphenyl)-7-fluoro-1,1-dioxo-6-(1-pyrrolidinyl)-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carboxylate

L811-0103 Screening compound: methyl 4-(4-ethylphenyl)-7-fluoro-1,1-dioxo-6-(1-pyrrolidinyl)-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carboxylate
L811-0103 Screening compound: methyl 4-(4-ethylphenyl)-7-fluoro-1,1-dioxo-6-(1-pyrrolidinyl)-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound L811-0103
methyl 4-(4-ethylphenyl)-7-fluoro-1,1-dioxo-6-(1-pyrrolidinyl)-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carboxylate

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

L811-0103

Molecular Formula

C22H23FN2O4S (C22 H23 FN2 O4 S)

Compound Name

methyl 4-(4-ethylphenyl)-7-fluoro-1,1-dioxo-6-(1-pyrrolidinyl)-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carboxylate

IUPAC name

methyl 4-(4-ethylphenyl)-7-fluoro-11-dioxo-6-(pyrrolidin-1-yl)-4H-1lambda64-benzothiazine-2-carboxylate

SMILES

CCc(cc1)ccc1N(C=C1C(OC)=O)c(cc(c(F)c2)N3CCCC3)c2S1(=O)=O

InChI

InChI=1S/C22H23FN2O4S/c1-3-15-6-8-16(9-7-15)25-14-21(22(26)29-2)30(27,28)20-12-17(23)18(13-19(20)25)24-10-4-5-11-24/h6-9,12-14H,3-5,10-11H2,1-2H3

InChI Key

AJYWESONNDIOEO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15135034

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.848

Distribution Coefficient, logD

3.848

Water Solubility, LogSw

-4.01

Polar Surface Area

55.642

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

-1.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

L811-0103 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with L811-0103 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L811-0103?
Check Price and Availability of L811-0103, 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 L811-0103 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L811-0103
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L811-0103
  • 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 L811-0103 available by request