4155-0019 Screening compound: 2-[(2E,5Z)-2-({[(tert-butoxy)carbonyl]amino}imino)-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-5-ylidene]acetic acid

4155-0019 Screening compound: 2-[(2E,5Z)-2-({[(tert-butoxy)carbonyl]amino}imino)-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-5-ylidene]acetic acid
4155-0019 Screening compound: 2-[(2E,5Z)-2-({[(tert-butoxy)carbonyl]amino}imino)-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-5-ylidene]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4155-0019
2-[(2E,5Z)-2-({[(tert-butoxy)carbonyl]amino}imino)-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-5-ylidene]acetic acid

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

4155-0019

Molecular Formula

C13H17N3O5S (C13 H17 N3 O5 S)

Compound Name

2-[(2E,5Z)-2-({[(tert-butoxy)carbonyl]amino}imino)-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-5-ylidene]acetic acid

IUPAC name

2-[(2E5Z)-2-({[(tert-butoxy)carbonyl]amino}imino)-4-oxo-3-(prop-2-en-1-yl)-13-thiazolidin-5-ylidene]acetic acid

SMILES

CC(C)(C)OC(N/N=C(\N(CC=C)C1=O)/S/C1=C\C(O)=O)=O

InChI

InChI=1S/C13H17N3O5S/c1-5-6-16-10(19)8(7-9(17)18)22-11(16)14-15-12(20)21-13(2,3)4/h5,7H,1,6H2,2-4H3,(H,15,20)(H,17,18)

InChI Key

ADWROWZTLWMSGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01218422

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.36

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.111

Distribution Coefficient, logD

-1.217

Water Solubility, LogSw

-2.20

Polar Surface Area

88.378

Acid Dissociation Constant (pKa)

4.07

Base Dissociation Constant (pKb)

-1.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

4155-0019 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 4155-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4155-0019?
Check Price and Availability of 4155-0019, 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 4155-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4155-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4155-0019
  • 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 4155-0019 available by request