4328-0185 Screening compound: 4-[(Z)-({[(tert-butoxy)carbonyl]amino}imino)methyl]phenyl furan-2-carboxylate

4328-0185 Screening compound: 4-[(Z)-({[(tert-butoxy)carbonyl]amino}imino)methyl]phenyl furan-2-carboxylate
4328-0185 Screening compound: 4-[(Z)-({[(tert-butoxy)carbonyl]amino}imino)methyl]phenyl furan-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4328-0185
4-[(Z)-({[(tert-butoxy)carbonyl]amino}imino)methyl]phenyl furan-2-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

4328-0185

Molecular Formula

C17H18N2O5 (C17 H18 N2 O5)

Compound Name

4-[(Z)-({[(tert-butoxy)carbonyl]amino}imino)methyl]phenyl furan-2-carboxylate

IUPAC name

4-[(Z)-({[(tert-butoxy)carbonyl]amino}imino)methyl]phenyl furan-2-carboxylate

SMILES

CC(C)(C)OC(N/N=C\c(cc1)ccc1OC(c1ccco1)=O)=O

InChI

InChI=1S/C17H18N2O5/c1-17(2,3)24-16(21)19-18-11-12-6-8-13(9-7-12)23-15(20)14-5-4-10-22-14/h4-11H,1-3H3,(H,19,21)

InChI Key

SHBIXMBNSNZCFJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03826805

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.34

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.646

Distribution Coefficient, logD

3.646

Water Solubility, LogSw

-3.83

Polar Surface Area

71.972

Acid Dissociation Constant (pKa)

10.69

Base Dissociation Constant (pKb)

2.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

4328-0185 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Receptors Annotated Library (5376 compounds)

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 4328-0185 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4328-0185?
Check Price and Availability of 4328-0185, 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 4328-0185 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4328-0185
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4328-0185
  • 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 4328-0185 available by request