L807-0023 Screening compound: 4-(3,5-dimethoxyphenyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazin-2-yl cyanide

L807-0023 Screening compound: 4-(3,5-dimethoxyphenyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazin-2-yl cyanide
L807-0023 Screening compound: 4-(3,5-dimethoxyphenyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazin-2-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound L807-0023
4-(3,5-dimethoxyphenyl)-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

L807-0023

Molecular Formula

C17H14N2O4S (C17 H14 N2 O4 S)

Compound Name

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

IUPAC name

4-(35-dimethoxyphenyl)-11-dioxo-4H-1lambda64-benzothiazine-2-carbonitrile

SMILES

COc1cc(N(C=C2C#N)c(cccc3)c3S2(=O)=O)cc(OC)c1

InChI

InChI=1S/C17H14N2O4S/c1-22-13-7-12(8-14(9-13)23-2)19-11-15(10-18)24(20,21)17-6-4-3-5-16(17)19/h3-9,11H,1-2H3

InChI Key

OBFODMPDPDTPDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27476419

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.311

Distribution Coefficient, logD

2.311

Water Solubility, LogSw

-2.63

Polar Surface Area

63.094

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-3.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

L807-0023 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L807-0023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L807-0023?
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What is the minimum amount of L807-0023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L807-0023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L807-0023
  • 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 L807-0023 available by request