4169-2480 Screening compound: methyl 4-(5-{[(2Z)-3-oxo-2,3-dihydro-1-benzothiophen-2-ylidene]methyl}furan-2-yl)benzoate

4169-2480 Screening compound: methyl 4-(5-{[(2Z)-3-oxo-2,3-dihydro-1-benzothiophen-2-ylidene]methyl}furan-2-yl)benzoate
4169-2480 Screening compound: methyl 4-(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 4169-2480
methyl 4-(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

4169-2480

Molecular Formula

C21H14O4S (C21 H14 O4 S)

Compound Name

methyl 4-(5-{[(2Z)-3-oxo-2,3-dihydro-1-benzothiophen-2-ylidene]methyl}furan-2-yl)benzoate

IUPAC name

methyl 4-(5-{[(2Z)-3-oxo-23-dihydro-1-benzothiophen-2-ylidene]methyl}furan-2-yl)benzoate

SMILES

COC(c(cc1)ccc1-c1ccc(/C=C2\Sc(cccc3)c3C2=O)o1)=O

InChI

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

InChI Key

PHDYKDZKLTVFIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03307588

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

5.314

Distribution Coefficient, logD

5.314

Water Solubility, LogSw

-5.42

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 4169-2480 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4169-2480?
Check Price and Availability of 4169-2480, 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 4169-2480 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4169-2480
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4169-2480
  • 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 4169-2480 available by request