L807-0029 Screening compound: 1,1-dioxo-4-(4-phenoxyphenyl)-1,4-dihydro-1lambda~6~,4-benzothiazin-2-yl cyanide

L807-0029 Screening compound: 1,1-dioxo-4-(4-phenoxyphenyl)-1,4-dihydro-1lambda~6~,4-benzothiazin-2-yl cyanide
L807-0029 Screening compound: 1,1-dioxo-4-(4-phenoxyphenyl)-1,4-dihydro-1lambda~6~,4-benzothiazin-2-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound L807-0029
1,1-dioxo-4-(4-phenoxyphenyl)-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

L807-0029

Molecular Formula

C21H14N2O3S (C21 H14 N2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

N#CC1=CN(c(cc2)ccc2Oc2ccccc2)c(cccc2)c2S1(=O)=O

InChI

InChI=1S/C21H14N2O3S/c22-14-19-15-23(20-8-4-5-9-21(20)27(19,24)25)16-10-12-18(13-11-16)26-17-6-2-1-3-7-17/h1-13,15H

InChI Key

DYDZCWRIWPQMIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16638640

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.563

Distribution Coefficient, logD

3.563

Water Solubility, LogSw

-3.94

Polar Surface Area

54.754

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-2.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with L807-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L807-0029?
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What is the minimum amount of L807-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L807-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L807-0029
  • 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 L807-0029 available by request