8011-3191 Screening compound: 2-(2-methoxy-4-{[(2Z)-3-oxo-2,3-dihydro-1-benzothiophen-2-ylidene]methyl}phenoxy)-5-nitrobenzonitrile

8011-3191 Screening compound: 2-(2-methoxy-4-{[(2Z)-3-oxo-2,3-dihydro-1-benzothiophen-2-ylidene]methyl}phenoxy)-5-nitrobenzonitrile
8011-3191 Screening compound: 2-(2-methoxy-4-{[(2Z)-3-oxo-2,3-dihydro-1-benzothiophen-2-ylidene]methyl}phenoxy)-5-nitrobenzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-3191
2-(2-methoxy-4-{[(2Z)-3-oxo-2,3-dihydro-1-benzothiophen-2-ylidene]methyl}phenoxy)-5-nitrobenzonitrile

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

8011-3191

Molecular Formula

C23H14N2O5S (C23 H14 N2 O5 S)

Compound Name

2-(2-methoxy-4-{[(2Z)-3-oxo-2,3-dihydro-1-benzothiophen-2-ylidene]methyl}phenoxy)-5-nitrobenzonitrile

IUPAC name

2-(2-methoxy-4-{[(2Z)-3-oxo-23-dihydro-1-benzothiophen-2-ylidene]methyl}phenoxy)-5-nitrobenzonitrile

SMILES

COc(cc(/C=C1\Sc(cccc2)c2C1=O)cc1)c1Oc(ccc([N+]([O-])=O)c1)c1C#N

InChI

InChI=1S/C23H14N2O5S/c1-29-20-10-14(11-22-23(26)17-4-2-3-5-21(17)31-22)6-8-19(20)30-18-9-7-16(25(27)28)12-15(18)13-24/h2-12H,1H3

InChI Key

MGBIFJBBQLLBCJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01873743

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.44

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.922

Distribution Coefficient, logD

4.922

Water Solubility, LogSw

-4.82

Polar Surface Area

78.389

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-11.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

References: we are preparing a list of scientific research reports with 8011-3191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-3191?
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What is the minimum amount of 8011-3191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-3191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-3191
  • 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 8011-3191 available by request