4075-3530 Screening compound: 2-(2,4-dichlorophenoxy)ethyl 3,4-dimethyl-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylate

4075-3530 Screening compound: 2-(2,4-dichlorophenoxy)ethyl 3,4-dimethyl-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylate
4075-3530 Screening compound: 2-(2,4-dichlorophenoxy)ethyl 3,4-dimethyl-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4075-3530
2-(2,4-dichlorophenoxy)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

4075-3530

Molecular Formula

C14H13Cl2NO3S2 (C14 H13 Cl2 NO3 S2)

Compound Name

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

IUPAC name

2-(24-dichlorophenoxy)ethyl 34-dimethyl-2-sulfanylidene-23-dihydro-13-thiazole-5-carboxylate

SMILES

CC(N1C)=C(C(OCCOc(ccc(Cl)c2)c2Cl)=O)SC1=S

InChI

InChI=1S/C14H13Cl2NO3S2/c1-8-12(22-14(21)17(8)2)13(18)20-6-5-19-11-4-3-9(15)7-10(11)16/h3-4,7H,5-6H2,1-2H3

InChI Key

XFNIXPYNKUAQLX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02855632

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.3

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

3.818

Distribution Coefficient, logD

3.818

Water Solubility, LogSw

-4.26

Polar Surface Area

31.477

Acid Dissociation Constant (pKa)

28.33

Base Dissociation Constant (pKb)

0.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

4075-3530 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4075-3530 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4075-3530?
Check Price and Availability of 4075-3530, 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 4075-3530 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4075-3530
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4075-3530
  • 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 4075-3530 available by request