C508-0024 Screening compound: 5-{[5-(4-ethoxy-2-nitrophenyl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione

C508-0024 Screening compound: 5-{[5-(4-ethoxy-2-nitrophenyl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione
C508-0024 Screening compound: 5-{[5-(4-ethoxy-2-nitrophenyl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound C508-0024
5-{[5-(4-ethoxy-2-nitrophenyl)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

C508-0024

Molecular Formula

C17H13N3O7 (C17 H13 N3 O7)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)cc([N+]([O-])=O)c1-c1ccc(C=C(C(NC(N2)=O)=O)C2=O)o1

InChI

InChI=1S/C17H13N3O7/c1-2-26-9-3-5-11(13(8-9)20(24)25)14-6-4-10(27-14)7-12-15(21)18-17(23)19-16(12)22/h3-8H,2H2,1H3,(H2,18,19,21,22,23)

InChI Key

SMEGEEOMNFRGMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14762650

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.31

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.374

Distribution Coefficient, logD

2.016

Water Solubility, LogSw

-3.13

Polar Surface Area

110.417

Acid Dissociation Constant (pKa)

7.29

Base Dissociation Constant (pKb)

-7.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

References: we are preparing a list of scientific research reports with C508-0024 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C508-0024?
Check Price and Availability of C508-0024, 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 C508-0024 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C508-0024
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C508-0024
  • 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 C508-0024 available by request