L807-0030 Screening compound: 4-[3-(methylsulfanyl)phenyl]-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazin-2-yl cyanide

L807-0030 Screening compound: 4-[3-(methylsulfanyl)phenyl]-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazin-2-yl cyanide
L807-0030 Screening compound: 4-[3-(methylsulfanyl)phenyl]-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazin-2-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound L807-0030
4-[3-(methylsulfanyl)phenyl]-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

L807-0030

Molecular Formula

C16H12N2O2S2 (C16 H12 N2 O2 S2)

Compound Name

4-[3-(methylsulfanyl)phenyl]-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazin-2-yl cyanide

IUPAC name

4-[3-(methylsulfanyl)phenyl]-11-dioxo-4H-1lambda64-benzothiazine-2-carbonitrile

SMILES

CSc1cccc(N(C=C2C#N)c(cccc3)c3S2(=O)=O)c1

InChI

InChI=1S/C16H12N2O2S2/c1-21-13-6-4-5-12(9-13)18-11-14(10-17)22(19,20)16-8-3-2-7-15(16)18/h2-9,11H,1H3

InChI Key

LKUFOQOSICQOFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27476423

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.316

Distribution Coefficient, logD

2.316

Water Solubility, LogSw

-2.63

Polar Surface Area

48.007

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-3.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

L807-0030 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with L807-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L807-0030?
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What is the minimum amount of L807-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L807-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L807-0030
  • 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 L807-0030 available by request