4075-3531 Screening compound: 2-(4-methylphenoxy)ethyl 3,4-dimethyl-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylate

4075-3531 Screening compound: 2-(4-methylphenoxy)ethyl 3,4-dimethyl-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylate
4075-3531 Screening compound: 2-(4-methylphenoxy)ethyl 3,4-dimethyl-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4075-3531
2-(4-methylphenoxy)ethyl 3,4-dimethyl-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylate

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

4075-3531

Molecular Formula

C15H17NO3S2 (C15 H17 NO3 S2)

Compound Name

2-(4-methylphenoxy)ethyl 3,4-dimethyl-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylate

IUPAC name

2-(4-methylphenoxy)ethyl 34-dimethyl-2-sulfanylidene-23-dihydro-13-thiazole-5-carboxylate

SMILES

CC(N1C)=C(C(OCCOc2ccc(C)cc2)=O)SC1=S

InChI

InChI=1S/C15H17NO3S2/c1-10-4-6-12(7-5-10)18-8-9-19-14(17)13-11(2)16(3)15(20)21-13/h4-7H,8-9H2,1-3H3

InChI Key

WEZQGWBACLQUKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02736233

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.298

Distribution Coefficient, logD

3.298

Water Solubility, LogSw

-3.35

Polar Surface Area

31.390

Acid Dissociation Constant (pKa)

28.33

Base Dissociation Constant (pKb)

0.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

4075-3531 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with 4075-3531 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4075-3531?
Check Price and Availability of 4075-3531, 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 4075-3531 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4075-3531
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4075-3531
  • 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 4075-3531 available by request