L731-0558 Screening compound: (4S)-3-[2-(4-fluorophenoxy)acetyl]-N~4~-[2-(1,3-thiazol-4-yl)ethyl]-1,3-thiazolane-4-carboxamide

L731-0558 Screening compound: (4S)-3-[2-(4-fluorophenoxy)acetyl]-N~4~-[2-(1,3-thiazol-4-yl)ethyl]-1,3-thiazolane-4-carboxamide
L731-0558 Screening compound: (4S)-3-[2-(4-fluorophenoxy)acetyl]-N~4~-[2-(1,3-thiazol-4-yl)ethyl]-1,3-thiazolane-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L731-0558
(4S)-3-[2-(4-fluorophenoxy)acetyl]-N~4~-[2-(1,3-thiazol-4-yl)ethyl]-1,3-thiazolane-4-carboxamide

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

L731-0558

Molecular Formula

C17H18FN3O3S2 (C17 H18 FN3 O3 S2)

Compound Name

(4S)-3-[2-(4-fluorophenoxy)acetyl]-N~4~-[2-(1,3-thiazol-4-yl)ethyl]-1,3-thiazolane-4-carboxamide

IUPAC name

(4S)-3-[2-(4-fluorophenoxy)acetyl]-N-[2-(13-thiazol-4-yl)ethyl]-13-thiazolidine-4-carboxamide

SMILES

O=C(COc(cc1)ccc1F)N(CSC1)C1C(NCCc1cscn1)=O

InChI

InChI=1S/C17H18FN3O3S2/c18-12-1-3-14(4-2-12)24-7-16(22)21-11-26-9-15(21)17(23)19-6-5-13-8-25-10-20-13/h1-4,8,10,15H,5-7,9,11H2,(H,19,23)/t15-/m0/s1

InChI Key

PLMRUYDMVPXSIY-HNNXBMFYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.721

Distribution Coefficient, logD

1.721

Water Solubility, LogSw

-2.28

Polar Surface Area

58.285

Acid Dissociation Constant (pKa)

14.49

Base Dissociation Constant (pKb)

3.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.29

L731-0558 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Structure:
  • Mimetics
  • 3D
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with L731-0558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L731-0558?
Check Price and Availability of L731-0558, 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 L731-0558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L731-0558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L731-0558
  • 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 L731-0558 available by request