5508-0012 Screening compound: 2-(2,4,6-trichlorophenoxy)ethyl 3,4-dimethyl-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylate

5508-0012 Screening compound: 2-(2,4,6-trichlorophenoxy)ethyl 3,4-dimethyl-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylate
5508-0012 Screening compound: 2-(2,4,6-trichlorophenoxy)ethyl 3,4-dimethyl-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5508-0012
2-(2,4,6-trichlorophenoxy)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

5508-0012

Molecular Formula

C14H12Cl3NO3S2 (C14 H12 Cl3 NO3 S2)

Compound Name

2-(2,4,6-trichlorophenoxy)ethyl 3,4-dimethyl-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylate

IUPAC name

2-(246-trichlorophenoxy)ethyl 34-dimethyl-2-sulfanylidene-23-dihydro-13-thiazole-5-carboxylate

SMILES

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

InChI

InChI=1S/C14H12Cl3NO3S2/c1-7-12(23-14(22)18(7)2)13(19)21-4-3-20-11-9(16)5-8(15)6-10(11)17/h5-6H,3-4H2,1-2H3

InChI Key

KHAYMQAMUMXPDI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03502237

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.74

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

4.539

Distribution Coefficient, logD

4.539

Water Solubility, LogSw

-4.61

Polar Surface Area

31.564

Acid Dissociation Constant (pKa)

28.33

Base Dissociation Constant (pKb)

0.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

5508-0012 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 5508-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5508-0012?
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What is the minimum amount of 5508-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5508-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5508-0012
  • 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 5508-0012 available by request