L807-0024 Screening compound: 1,1-dioxo-4-(3,4,5-trimethoxyphenyl)-1,4-dihydro-1lambda~6~,4-benzothiazin-2-yl cyanide

L807-0024 Screening compound: 1,1-dioxo-4-(3,4,5-trimethoxyphenyl)-1,4-dihydro-1lambda~6~,4-benzothiazin-2-yl cyanide
L807-0024 Screening compound: 1,1-dioxo-4-(3,4,5-trimethoxyphenyl)-1,4-dihydro-1lambda~6~,4-benzothiazin-2-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound L807-0024
1,1-dioxo-4-(3,4,5-trimethoxyphenyl)-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

L807-0024

Molecular Formula

C18H16N2O5S (C18 H16 N2 O5 S)

Compound Name

1,1-dioxo-4-(3,4,5-trimethoxyphenyl)-1,4-dihydro-1lambda~6~,4-benzothiazin-2-yl cyanide

IUPAC name

11-dioxo-4-(345-trimethoxyphenyl)-4H-1lambda64-benzothiazine-2-carbonitrile

SMILES

COc1cc(N(C=C2C#N)c(cccc3)c3S2(=O)=O)cc(OC)c1OC

InChI

InChI=1S/C18H16N2O5S/c1-23-15-8-12(9-16(24-2)18(15)25-3)20-11-13(10-19)26(21,22)17-7-5-4-6-14(17)20/h4-9,11H,1-3H3

InChI Key

QPXSKNKTMIIEOK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16638639

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.673

Distribution Coefficient, logD

1.673

Water Solubility, LogSw

-2.44

Polar Surface Area

70.985

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-2.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

L807-0024 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L807-0024 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L807-0024?
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What is the minimum amount of L807-0024 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L807-0024
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L807-0024
  • 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 L807-0024 available by request