3736-0066 Screening compound: (2Z)-2-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-2,3-dihydro-1-benzothiophen-3-one

3736-0066 Screening compound: (2Z)-2-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-2,3-dihydro-1-benzothiophen-3-one
3736-0066 Screening compound: (2Z)-2-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-2,3-dihydro-1-benzothiophen-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3736-0066
(2Z)-2-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-2,3-dihydro-1-benzothiophen-3-one

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

3736-0066

Molecular Formula

C23H18O3S (C23 H18 O3 S)

Compound Name

(2Z)-2-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-2,3-dihydro-1-benzothiophen-3-one

IUPAC name

(2Z)-2-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-23-dihydro-1-benzothiophen-3-one

SMILES

COc(cc(/C=C1\Sc(cccc2)c2C1=O)cc1)c1OCc1ccccc1

InChI

InChI=1S/C23H18O3S/c1-25-20-13-17(11-12-19(20)26-15-16-7-3-2-4-8-16)14-22-23(24)18-9-5-6-10-21(18)27-22/h2-14H,15H2,1H3

InChI Key

BDDXJMDXNULXMX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01045735

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.050

Distribution Coefficient, logD

5.050

Water Solubility, LogSw

-5.02

Polar Surface Area

28.345

Acid Dissociation Constant (pKa)

29.40

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

3736-0066 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 3736-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3736-0066?
Check Price and Availability of 3736-0066, 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 3736-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3736-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3736-0066
  • 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 3736-0066 available by request