L807-0221 Screening compound: 4-(2-ethoxyphenyl)-7-fluoro-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazin-2-yl cyanide

L807-0221 Screening compound: 4-(2-ethoxyphenyl)-7-fluoro-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazin-2-yl cyanide
L807-0221 Screening compound: 4-(2-ethoxyphenyl)-7-fluoro-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazin-2-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound L807-0221
4-(2-ethoxyphenyl)-7-fluoro-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazin-2-yl cyanide

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

L807-0221

Molecular Formula

C17H13FN2O3S (C17 H13 FN2 O3 S)

Compound Name

4-(2-ethoxyphenyl)-7-fluoro-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazin-2-yl cyanide

IUPAC name

4-(2-ethoxyphenyl)-7-fluoro-11-dioxo-4H-1lambda64-benzothiazine-2-carbonitrile

SMILES

CCOc(cccc1)c1N(C=C1C#N)c(ccc(F)c2)c2S1(=O)=O

InChI

InChI=1S/C17H13FN2O3S/c1-2-23-16-6-4-3-5-14(16)20-11-13(10-19)24(21,22)17-9-12(18)7-8-15(17)20/h3-9,11H,2H2,1H3

InChI Key

UPNKSTOZCPCNGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27476521

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.465

Distribution Coefficient, logD

2.465

Water Solubility, LogSw

-2.77

Polar Surface Area

54.916

Acid Dissociation Constant (pKa)

29.85

Base Dissociation Constant (pKb)

-2.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

L807-0221 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with L807-0221 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L807-0221?
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What is the minimum amount of L807-0221 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L807-0221
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L807-0221
  • 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 L807-0221 available by request