4514-1885 Screening compound: N-(4-fluorophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidine-3-carbothioamide

4514-1885 Screening compound: N-(4-fluorophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidine-3-carbothioamide
4514-1885 Screening compound: N-(4-fluorophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidine-3-carbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4514-1885
N-(4-fluorophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidine-3-carbothioamide

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

4514-1885

Molecular Formula

C17H17FN2OS2 (C17 H17 FN2 OS2)

Compound Name

N-(4-fluorophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidine-3-carbothioamide

IUPAC name

N-(4-fluorophenyl)-2-(4-methoxyphenyl)-13-thiazolidine-3-carbothioamide

SMILES

COc1ccc(C2SCCN2C(Nc(cc2)ccc2F)=S)cc1

InChI

InChI=1S/C17H17FN2OS2/c1-21-15-8-2-12(3-9-15)16-20(10-11-23-16)17(22)19-14-6-4-13(18)5-7-14/h2-9,16H,10-11H2,1H3,(H,19,22)/t16-/m0/s1

InChI Key

UFIPVOLNUYINIV-INIZCTEOSA-N

MDL Number (MFCD)

MFCD02153496

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.257

Distribution Coefficient, logD

4.257

Water Solubility, LogSw

-4.20

Polar Surface Area

18.471

Acid Dissociation Constant (pKa)

13.51

Base Dissociation Constant (pKb)

-2.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.50

4514-1885 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 4514-1885 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4514-1885?
Check Price and Availability of 4514-1885, 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 4514-1885 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4514-1885
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4514-1885
  • 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 4514-1885 available by request