4478-3493 Screening compound: ethyl (2E)-3-[(1,3-thiazol-2-yl)carbamoyl]prop-2-enoate

4478-3493 Screening compound: ethyl (2E)-3-[(1,3-thiazol-2-yl)carbamoyl]prop-2-enoate
4478-3493 Screening compound: ethyl (2E)-3-[(1,3-thiazol-2-yl)carbamoyl]prop-2-enoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4478-3493
ethyl (2E)-3-[(1,3-thiazol-2-yl)carbamoyl]prop-2-enoate

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

4478-3493

Molecular Formula

C9H10N2O3S (C9 H10 N2 O3 S)

Compound Name

ethyl (2E)-3-[(1,3-thiazol-2-yl)carbamoyl]prop-2-enoate

IUPAC name

ethyl (2E)-3-[(13-thiazol-2-yl)carbamoyl]prop-2-enoate

SMILES

CCOC(/C=C/C(Nc1nccs1)=O)=O

InChI

InChI=1S/C9H10N2O3S/c1-2-14-8(13)4-3-7(12)11-9-10-5-6-15-9/h3-6H,2H2,1H3,(H,10,11,12)

InChI Key

XEPOQFCTWLPJAU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01180204

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

226.26

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.697

Distribution Coefficient, logD

1.677

Water Solubility, LogSw

-2.46

Polar Surface Area

54.025

Acid Dissociation Constant (pKa)

8.74

Base Dissociation Constant (pKb)

-0.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

4478-3493 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 4478-3493 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4478-3493?
Check Price and Availability of 4478-3493, 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 4478-3493 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4478-3493
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4478-3493
  • 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 4478-3493 available by request