5400-1522 Screening compound: ethyl 2-{2-[(E)-carbamoyl(hydroxyimino)methyl]-1,3-thiazol-4-yl}acetate

5400-1522 Screening compound: ethyl 2-{2-[(E)-carbamoyl(hydroxyimino)methyl]-1,3-thiazol-4-yl}acetate
5400-1522 Screening compound: ethyl 2-{2-[(E)-carbamoyl(hydroxyimino)methyl]-1,3-thiazol-4-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5400-1522
ethyl 2-{2-[(E)-carbamoyl(hydroxyimino)methyl]-1,3-thiazol-4-yl}acetate

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

5400-1522

Molecular Formula

C9H11N3O4S (C9 H11 N3 O4 S)

Compound Name

ethyl 2-{2-[(E)-carbamoyl(hydroxyimino)methyl]-1,3-thiazol-4-yl}acetate

IUPAC name

ethyl 2-{2-[(E)-carbamoyl(hydroxyimino)methyl]-13-thiazol-4-yl}acetate

SMILES

CCOC(Cc1csc(/C(/C(N)=O)=N/O)n1)=O

InChI

InChI=1S/C9H11N3O4S/c1-2-16-6(13)3-5-4-17-9(11-5)7(12-15)8(10)14/h4,15H,2-3H2,1H3,(H2,10,14)

InChI Key

CARHDQKBLXPAHZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02707872

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

257.27

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.038

Distribution Coefficient, logD

0.018

Water Solubility, LogSw

-0.99

Polar Surface Area

94.380

Acid Dissociation Constant (pKa)

8.74

Base Dissociation Constant (pKb)

0.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

5400-1522 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

CNS Annotated Library (688 compounds)

Human GPCR Annotated Library (5539 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro
Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 5400-1522 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5400-1522?
Check Price and Availability of 5400-1522, 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 5400-1522 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5400-1522
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5400-1522
  • 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 5400-1522 available by request