5847-1268 Screening compound: (2Z)-2-[(4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl pyridine-4-carboxylate

5847-1268 Screening compound: (2Z)-2-[(4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl pyridine-4-carboxylate
5847-1268 Screening compound: (2Z)-2-[(4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl pyridine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5847-1268
(2Z)-2-[(4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl pyridine-4-carboxylate

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

5847-1268

Molecular Formula

C22H15NO5 (C22 H15 NO5)

Compound Name

(2Z)-2-[(4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl pyridine-4-carboxylate

IUPAC name

(2Z)-2-[(4-methoxyphenyl)methylidene]-3-oxo-23-dihydro-1-benzofuran-6-yl pyridine-4-carboxylate

SMILES

COc1ccc(/C=C2\Oc(cc(cc3)OC(c4ccncc4)=O)c3C2=O)cc1

InChI

InChI=1S/C22H15NO5/c1-26-16-4-2-14(3-5-16)12-20-21(24)18-7-6-17(13-19(18)28-20)27-22(25)15-8-10-23-11-9-15/h2-13H,1H3

InChI Key

VYGONSHFAUPLFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03618728

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.302

Distribution Coefficient, logD

3.302

Water Solubility, LogSw

-3.74

Polar Surface Area

58.713

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

2.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

5847-1268 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 5847-1268 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5847-1268?
Check Price and Availability of 5847-1268, 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 5847-1268 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5847-1268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5847-1268
  • 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 5847-1268 available by request