5107-0269 Screening compound: ethyl 4-amino-3-(4-methoxyphenyl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylate

5107-0269 Screening compound: ethyl 4-amino-3-(4-methoxyphenyl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylate
5107-0269 Screening compound: ethyl 4-amino-3-(4-methoxyphenyl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5107-0269
ethyl 4-amino-3-(4-methoxyphenyl)-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

5107-0269

Molecular Formula

C13H14N2O3S2 (C13 H14 N2 O3 S2)

Compound Name

ethyl 4-amino-3-(4-methoxyphenyl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylate

IUPAC name

ethyl 4-amino-3-(4-methoxyphenyl)-2-sulfanylidene-23-dihydro-13-thiazole-5-carboxylate

SMILES

CCOC(C(SC1=S)=C(N)N1c(cc1)ccc1OC)=O

InChI

InChI=1S/C13H14N2O3S2/c1-3-18-12(16)10-11(14)15(13(19)20-10)8-4-6-9(17-2)7-5-8/h4-7H,3,14H2,1-2H3

InChI Key

ZDHSODVAAWIGSA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03293249

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.475

Distribution Coefficient, logD

2.475

Water Solubility, LogSw

-2.57

Polar Surface Area

51.412

Acid Dissociation Constant (pKa)

17.19

Base Dissociation Constant (pKb)

1.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

5107-0269 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 5107-0269 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5107-0269?
Check Price and Availability of 5107-0269, 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 5107-0269 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5107-0269
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5107-0269
  • 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 5107-0269 available by request