3030-2218 Screening compound: 4-[(Z)-{[(ethoxycarbonyl)amino]imino}methyl]phenyl 2H-1,3-benzodioxole-5-carboxylate

3030-2218 Screening compound: 4-[(Z)-{[(ethoxycarbonyl)amino]imino}methyl]phenyl 2H-1,3-benzodioxole-5-carboxylate
3030-2218 Screening compound: 4-[(Z)-{[(ethoxycarbonyl)amino]imino}methyl]phenyl 2H-1,3-benzodioxole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3030-2218
4-[(Z)-{[(ethoxycarbonyl)amino]imino}methyl]phenyl 2H-1,3-benzodioxole-5-carboxylate

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

3030-2218

Molecular Formula

C18H16N2O6 (C18 H16 N2 O6)

Compound Name

4-[(Z)-{[(ethoxycarbonyl)amino]imino}methyl]phenyl 2H-1,3-benzodioxole-5-carboxylate

IUPAC name

4-[(Z)-{[(ethoxycarbonyl)amino]imino}methyl]phenyl 2H-13-benzodioxole-5-carboxylate

SMILES

CCOC(N/N=C\c(cc1)ccc1OC(c(cc1)cc2c1OCO2)=O)=O

InChI

InChI=1S/C18H16N2O6/c1-2-23-18(22)20-19-10-12-3-6-14(7-4-12)26-17(21)13-5-8-15-16(9-13)25-11-24-15/h3-10H,2,11H2,1H3,(H,20,22)

InChI Key

KOCKSOJYICWLRX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02287814

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.33

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.103

Distribution Coefficient, logD

3.101

Water Solubility, LogSw

-3.37

Polar Surface Area

81.400

Acid Dissociation Constant (pKa)

9.79

Base Dissociation Constant (pKb)

1.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

3030-2218 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3030-2218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3030-2218?
Check Price and Availability of 3030-2218, 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 3030-2218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3030-2218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3030-2218
  • 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 3030-2218 available by request