R052-0864 Screening compound: ethyl 4-amino-3-(3-chloro-4-fluorophenyl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylate

R052-0864 Screening compound: ethyl 4-amino-3-(3-chloro-4-fluorophenyl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylate
R052-0864 Screening compound: ethyl 4-amino-3-(3-chloro-4-fluorophenyl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound R052-0864
ethyl 4-amino-3-(3-chloro-4-fluorophenyl)-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

R052-0864

Molecular Formula

C12H10ClFN2O2S2 (C12 H10 ClFN2 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(SC1=S)=C(N)N1c(cc1)cc(Cl)c1F)=O

InChI

InChI=1S/C12H10ClFN2O2S2/c1-2-18-11(17)9-10(15)16(12(19)20-9)6-3-4-8(14)7(13)5-6/h3-5H,2,15H2,1H3

InChI Key

MJCFBPBKVBDVIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02089332

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.81

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.087

Distribution Coefficient, logD

3.087

Water Solubility, LogSw

-3.36

Polar Surface Area

43.868

Acid Dissociation Constant (pKa)

16.25

Base Dissociation Constant (pKb)

-0.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

R052-0864 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Annotated Library (21441 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with R052-0864 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R052-0864?
Check Price and Availability of R052-0864, 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 R052-0864 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R052-0864
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R052-0864
  • 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 R052-0864 available by request