4449-1724 Screening compound: methyl 4-{[(4E)-2,5-dioxoimidazolidin-4-ylidene]methyl}benzoate

4449-1724 Screening compound: methyl 4-{[(4E)-2,5-dioxoimidazolidin-4-ylidene]methyl}benzoate
4449-1724 Screening compound: methyl 4-{[(4E)-2,5-dioxoimidazolidin-4-ylidene]methyl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4449-1724
methyl 4-{[(4E)-2,5-dioxoimidazolidin-4-ylidene]methyl}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

4449-1724

Molecular Formula

C12H10N2O4 (C12 H10 N2 O4)

Compound Name

methyl 4-{[(4E)-2,5-dioxoimidazolidin-4-ylidene]methyl}benzoate

IUPAC name

methyl 4-{[(4E)-25-dioxoimidazolidin-4-ylidene]methyl}benzoate

SMILES

COC(c1ccc(/C=C(\C(N2)=O)/NC2=O)cc1)=O

InChI

InChI=1S/C12H10N2O4/c1-18-11(16)8-4-2-7(3-5-8)6-9-10(15)14-12(17)13-9/h2-6H,1H3,(H2,13,14,15,17)

InChI Key

URZPRQFWHGVTJF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03728768

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

246.22

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.148

Distribution Coefficient, logD

1.146

Water Solubility, LogSw

-1.89

Polar Surface Area

70.485

Acid Dissociation Constant (pKa)

9.68

Base Dissociation Constant (pKb)

2.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

References: we are preparing a list of scientific research reports with 4449-1724 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4449-1724?
Check Price and Availability of 4449-1724, 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 4449-1724 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4449-1724
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4449-1724
  • 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 4449-1724 available by request