3966-4450 Screening compound: 5-{[5-(4-methoxyphenyl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione

3966-4450 Screening compound: 5-{[5-(4-methoxyphenyl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione
3966-4450 Screening compound: 5-{[5-(4-methoxyphenyl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3966-4450
5-{[5-(4-methoxyphenyl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione

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

3966-4450

Molecular Formula

C16H12N2O5 (C16 H12 N2 O5)

Compound Name

5-{[5-(4-methoxyphenyl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione

IUPAC name

5-{[5-(4-methoxyphenyl)furan-2-yl]methylidene}-13-diazinane-246-trione

SMILES

COc(cc1)ccc1-c1ccc(C=C(C(NC(N2)=O)=O)C2=O)o1

InChI

InChI=1S/C16H12N2O5/c1-22-10-4-2-9(3-5-10)13-7-6-11(23-13)8-12-14(19)17-16(21)18-15(12)20/h2-8H,1H3,(H2,17,18,19,20,21)

InChI Key

UOURPSZIXKPGMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02043109

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.28

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.055

Distribution Coefficient, logD

1.697

Water Solubility, LogSw

-2.71

Polar Surface Area

77.757

Acid Dissociation Constant (pKa)

7.29

Base Dissociation Constant (pKb)

-7.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

References: we are preparing a list of scientific research reports with 3966-4450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3966-4450?
Check Price and Availability of 3966-4450, 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 3966-4450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3966-4450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3966-4450
  • 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 3966-4450 available by request