3030-5321 Screening compound: ethyl 4-{5-[(1E)-2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)ethenyl]furan-2-yl}benzoate

3030-5321 Screening compound: ethyl 4-{5-[(1E)-2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)ethenyl]furan-2-yl}benzoate
3030-5321 Screening compound: ethyl 4-{5-[(1E)-2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)ethenyl]furan-2-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3030-5321
ethyl 4-{5-[(1E)-2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)ethenyl]furan-2-yl}benzoate

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

3030-5321

Molecular Formula

C19H15N3O7 (C19 H15 N3 O7)

Compound Name

ethyl 4-{5-[(1E)-2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)ethenyl]furan-2-yl}benzoate

IUPAC name

ethyl 4-{5-[(1E)-2-(5-nitro-26-dioxo-1236-tetrahydropyrimidin-4-yl)ethenyl]furan-2-yl}benzoate

SMILES

CCOC(c(cc1)ccc1-c1ccc(/C=C/C(NC(NC2=O)=O)=C2[N+]([O-])=O)o1)=O

InChI

InChI=1S/C19H15N3O7/c1-2-28-18(24)12-5-3-11(4-6-12)15-10-8-13(29-15)7-9-14-16(22(26)27)17(23)21-19(25)20-14/h3-10H,2H2,1H3,(H2,20,21,23,25)

InChI Key

WEGONPJZDJQZCN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04379690

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.34

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.522

Distribution Coefficient, logD

0.407

Water Solubility, LogSw

-3.59

Polar Surface Area

110.731

Acid Dissociation Constant (pKa)

4.29

Base Dissociation Constant (pKb)

-6.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

References: we are preparing a list of scientific research reports with 3030-5321 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3030-5321?
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What is the minimum amount of 3030-5321 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3030-5321
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3030-5321
  • 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 3030-5321 available by request