3793-5544 Screening compound: methyl 2-{4-[(3-methylphenyl)imino]-2-oxo-1,3-thiazolan-5-yl}acetate

3793-5544 Screening compound: methyl 2-{4-[(3-methylphenyl)imino]-2-oxo-1,3-thiazolan-5-yl}acetate
3793-5544 Screening compound: methyl 2-{4-[(3-methylphenyl)imino]-2-oxo-1,3-thiazolan-5-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3793-5544
methyl 2-{4-[(3-methylphenyl)imino]-2-oxo-1,3-thiazolan-5-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

3793-5544

Molecular Formula

C13H14N2O3S (C13 H14 N2 O3 S)

Compound Name

methyl 2-{4-[(3-methylphenyl)imino]-2-oxo-1,3-thiazolan-5-yl}acetate

IUPAC name

methyl 2-[(4Z)-4-[(3-methylphenyl)imino]-2-oxo-13-thiazolidin-5-yl]acetate

SMILES

Cc1cccc(/N=C(/C(CC(OC)=O)S2)\NC2=O)c1

InChI

InChI=1S/C13H14N2O3S/c1-8-4-3-5-9(6-8)14-12-10(7-11(16)18-2)19-13(17)15-12/h3-6,10H,7H2,1-2H3,(H,14,15,17)/t10-/m0/s1

InChI Key

UZQRJFULWWCONO-JTQLQIEISA-N

MDL Number (MFCD)

MFCD02166928

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

278.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.457

Distribution Coefficient, logD

2.450

Water Solubility, LogSw

-2.84

Polar Surface Area

52.922

Acid Dissociation Constant (pKa)

9.75

Base Dissociation Constant (pKb)

5.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.77

3793-5544 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 3793-5544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3793-5544?
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What is the minimum amount of 3793-5544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3793-5544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3793-5544
  • 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 3793-5544 available by request