4328-0227 Screening compound: 4-[(Z)-({[(tert-butoxy)carbonyl]amino}imino)methyl]phenyl thiophene-2-carboxylate

4328-0227 Screening compound: 4-[(Z)-({[(tert-butoxy)carbonyl]amino}imino)methyl]phenyl thiophene-2-carboxylate
4328-0227 Screening compound: 4-[(Z)-({[(tert-butoxy)carbonyl]amino}imino)methyl]phenyl thiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4328-0227
4-[(Z)-({[(tert-butoxy)carbonyl]amino}imino)methyl]phenyl thiophene-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

4328-0227

Molecular Formula

C17H18N2O4S (C17 H18 N2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)OC(N/N=C\c(cc1)ccc1OC(c1cccs1)=O)=O

InChI

InChI=1S/C17H18N2O4S/c1-17(2,3)23-16(21)19-18-11-12-6-8-13(9-7-12)22-15(20)14-5-4-10-24-14/h4-11H,1-3H3,(H,19,21)

InChI Key

UCNGVWLCURJONK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02636853

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.475

Distribution Coefficient, logD

4.475

Water Solubility, LogSw

-4.28

Polar Surface Area

64.412

Acid Dissociation Constant (pKa)

10.69

Base Dissociation Constant (pKb)

2.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

4328-0227 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 4328-0227 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4328-0227?
Check Price and Availability of 4328-0227, 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 4328-0227 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4328-0227
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4328-0227
  • 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 4328-0227 available by request