8008-9068 Screening compound: 2-{[(2Z)-3-oxo-2,3-dihydro-1-benzothiophen-2-ylidene]methyl}phenyl benzoate

8008-9068 Screening compound: 2-{[(2Z)-3-oxo-2,3-dihydro-1-benzothiophen-2-ylidene]methyl}phenyl benzoate
8008-9068 Screening compound: 2-{[(2Z)-3-oxo-2,3-dihydro-1-benzothiophen-2-ylidene]methyl}phenyl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-9068
2-{[(2Z)-3-oxo-2,3-dihydro-1-benzothiophen-2-ylidene]methyl}phenyl benzoate

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

8008-9068

Molecular Formula

C22H14O3S (C22 H14 O3 S)

Compound Name

2-{[(2Z)-3-oxo-2,3-dihydro-1-benzothiophen-2-ylidene]methyl}phenyl benzoate

IUPAC name

2-{[(2Z)-3-oxo-23-dihydro-1-benzothiophen-2-ylidene]methyl}phenyl benzoate

SMILES

O=C(c1ccccc1)Oc1c(/C=C2\Sc(cccc3)c3C2=O)cccc1

InChI

InChI=1S/C22H14O3S/c23-21-17-11-5-7-13-19(17)26-20(21)14-16-10-4-6-12-18(16)25-22(24)15-8-2-1-3-9-15/h1-14H

InChI Key

RWTIAVYPUHTIPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01460317

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.992

Distribution Coefficient, logD

4.992

Water Solubility, LogSw

-5.02

Polar Surface Area

33.864

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 8008-9068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-9068?
Check Price and Availability of 8008-9068, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8008-9068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-9068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-9068
  • 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 8008-9068 available by request