L807-0595 Screening compound: 4-(2,5-dimethylphenyl)-8-fluoro-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazin-2-yl cyanide

L807-0595 Screening compound: 4-(2,5-dimethylphenyl)-8-fluoro-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazin-2-yl cyanide
L807-0595 Screening compound: 4-(2,5-dimethylphenyl)-8-fluoro-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazin-2-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound L807-0595
4-(2,5-dimethylphenyl)-8-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

L807-0595

Molecular Formula

C17H13FN2O2S (C17 H13 FN2 O2 S)

Compound Name

4-(2,5-dimethylphenyl)-8-fluoro-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazin-2-yl cyanide

IUPAC name

4-(25-dimethylphenyl)-8-fluoro-11-dioxo-4H-1lambda64-benzothiazine-2-carbonitrile

SMILES

Cc1cc(N(C=C2C#N)c3cccc(F)c3S2(=O)=O)c(C)cc1

InChI

InChI=1S/C17H13FN2O2S/c1-11-6-7-12(2)16(8-11)20-10-13(9-19)23(21,22)17-14(18)4-3-5-15(17)20/h3-8,10H,1-2H3

InChI Key

JJRIFWMRGCUSPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27476672

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.37

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

3.040

Distribution Coefficient, logD

3.040

Water Solubility, LogSw

-3.30

Polar Surface Area

47.706

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-3.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

L807-0595 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 L807-0595 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L807-0595?
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What is the minimum amount of L807-0595 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L807-0595
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L807-0595
  • 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 L807-0595 available by request