L807-0076 Screening compound: 4-(2-fluoro-4-methylphenyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazin-2-yl cyanide

L807-0076 Screening compound: 4-(2-fluoro-4-methylphenyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazin-2-yl cyanide
L807-0076 Screening compound: 4-(2-fluoro-4-methylphenyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazin-2-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound L807-0076
4-(2-fluoro-4-methylphenyl)-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

L807-0076

Molecular Formula

C16H11FN2O2S (C16 H11 FN2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)cc(F)c1N(C=C1C#N)c(cccc2)c2S1(=O)=O

InChI

InChI=1S/C16H11FN2O2S/c1-11-6-7-14(13(17)8-11)19-10-12(9-18)22(20,21)16-5-3-2-4-15(16)19/h2-8,10H,1H3

InChI Key

GOZNDCZGETWCRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16638655

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.224

Distribution Coefficient, logD

2.224

Water Solubility, LogSw

-2.55

Polar Surface Area

47.706

Acid Dissociation Constant (pKa)

28.41

Base Dissociation Constant (pKb)

-3.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

References: we are preparing a list of scientific research reports with L807-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L807-0076?
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What is the minimum amount of L807-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L807-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L807-0076
  • 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 L807-0076 available by request