3033-2191 Screening compound: methyl 3-(5-{[(2Z)-3-oxo-2,3-dihydro-1-benzothiophen-2-ylidene]methyl}furan-2-yl)benzoate

3033-2191 Screening compound: methyl 3-(5-{[(2Z)-3-oxo-2,3-dihydro-1-benzothiophen-2-ylidene]methyl}furan-2-yl)benzoate
3033-2191 Screening compound: methyl 3-(5-{[(2Z)-3-oxo-2,3-dihydro-1-benzothiophen-2-ylidene]methyl}furan-2-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3033-2191
methyl 3-(5-{[(2Z)-3-oxo-2,3-dihydro-1-benzothiophen-2-ylidene]methyl}furan-2-yl)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

3033-2191

Molecular Formula

C21H14O4S (C21 H14 O4 S)

Compound Name

methyl 3-(5-{[(2Z)-3-oxo-2,3-dihydro-1-benzothiophen-2-ylidene]methyl}furan-2-yl)benzoate

IUPAC name

methyl 3-(5-{[(2Z)-3-oxo-23-dihydro-1-benzothiophen-2-ylidene]methyl}furan-2-yl)benzoate

SMILES

COC(c1cccc(-c2ccc(/C=C3\Sc(cccc4)c4C3=O)o2)c1)=O

InChI

InChI=1S/C21H14O4S/c1-24-21(23)14-6-4-5-13(11-14)17-10-9-15(25-17)12-19-20(22)16-7-2-3-8-18(16)26-19/h2-12H,1H3

InChI Key

XOXUDDMFGQEKSP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01788008

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.160

Distribution Coefficient, logD

5.160

Water Solubility, LogSw

-5.22

Polar Surface Area

42.144

Acid Dissociation Constant (pKa)

33.85

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

References: we are preparing a list of scientific research reports with 3033-2191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3033-2191?
Check Price and Availability of 3033-2191, 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 3033-2191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3033-2191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3033-2191
  • 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 3033-2191 available by request