3033-1439 Screening compound: (5E)-5-{[5-(3-OXO-1,3-DIHYDRO-2-BENZOFURAN-5-YL)-2-FURYL]METHYLENE}-2-THIOXOIMIDAZOLIDIN-4-ONE

3033-1439 Screening compound: (5E)-5-{[5-(3-OXO-1,3-DIHYDRO-2-BENZOFURAN-5-YL)-2-FURYL]METHYLENE}-2-THIOXOIMIDAZOLIDIN-4-ONE
3033-1439 Screening compound: (5E)-5-{[5-(3-OXO-1,3-DIHYDRO-2-BENZOFURAN-5-YL)-2-FURYL]METHYLENE}-2-THIOXOIMIDAZOLIDIN-4-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound 3033-1439
(5E)-5-{[5-(3-OXO-1,3-DIHYDRO-2-BENZOFURAN-5-YL)-2-FURYL]METHYLENE}-2-THIOXOIMIDAZOLIDIN-4-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

3033-1439

Molecular Formula

C16H10N2O4S (C16 H10 N2 O4 S)

Compound Name

(5E)-5-{[5-(3-OXO-1,3-DIHYDRO-2-BENZOFURAN-5-YL)-2-FURYL]METHYLENE}-2-THIOXOIMIDAZOLIDIN-4-ONE

IUPAC name

n/a

SMILES

O=C(/C(/N1)=C\c2ccc(-c3cc(C(OC4)=O)c4cc3)o2)NC1=S

InChI

InChI=1S/C16H10N2O4S/c19-14-12(17-16(23)18-14)6-10-3-4-13(22-10)8-1-2-9-7-21-15(20)11(9)5-8/h1-6H,7H2,(H2,17,18,19,23)

InChI Key

ZKPCLUSBDPGCDC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01785910

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.33

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.306

Distribution Coefficient, logD

2.284

Water Solubility, LogSw

-3.10

Polar Surface Area

66.436

Acid Dissociation Constant (pKa)

8.67

Base Dissociation Constant (pKb)

0.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

3033-1439 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3033-1439 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3033-1439?
Check Price and Availability of 3033-1439, 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 3033-1439 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3033-1439
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3033-1439
  • 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 3033-1439 available by request