4500-0327 Screening compound: ethyl 3-phenyl-2-[(1,3-thiazol-2-yl)carbamoyl]propanoate

4500-0327 Screening compound: ethyl 3-phenyl-2-[(1,3-thiazol-2-yl)carbamoyl]propanoate
4500-0327 Screening compound: ethyl 3-phenyl-2-[(1,3-thiazol-2-yl)carbamoyl]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4500-0327
ethyl 3-phenyl-2-[(1,3-thiazol-2-yl)carbamoyl]propanoate

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

4500-0327

Molecular Formula

C15H16N2O3S (C15 H16 N2 O3 S)

Compound Name

ethyl 3-phenyl-2-[(1,3-thiazol-2-yl)carbamoyl]propanoate

IUPAC name

ethyl 3-phenyl-2-[(13-thiazol-2-yl)carbamoyl]propanoate

SMILES

CCOC(C(Cc1ccccc1)C(Nc1nccs1)=O)=O

InChI

InChI=1S/C15H16N2O3S/c1-2-20-14(19)12(10-11-6-4-3-5-7-11)13(18)17-15-16-8-9-21-15/h3-9,12H,2,10H2,1H3,(H,16,17,18)/t12-/m0/s1

InChI Key

JNIOENIBPKKTCI-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD02052664

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.029

Distribution Coefficient, logD

3.022

Water Solubility, LogSw

-3.33

Polar Surface Area

54.562

Acid Dissociation Constant (pKa)

9.23

Base Dissociation Constant (pKb)

0.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.70

4500-0327 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 4500-0327 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4500-0327?
Check Price and Availability of 4500-0327, 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 4500-0327 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4500-0327
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4500-0327
  • 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 4500-0327 available by request