L731-0547 Screening compound: (4S)-3-[2-(phenylsulfanyl)acetyl]-N~4~-[2-(1,3-thiazol-4-yl)ethyl]-1,3-thiazolane-4-carboxamide

L731-0547 Screening compound: (4S)-3-[2-(phenylsulfanyl)acetyl]-N~4~-[2-(1,3-thiazol-4-yl)ethyl]-1,3-thiazolane-4-carboxamide
L731-0547 Screening compound: (4S)-3-[2-(phenylsulfanyl)acetyl]-N~4~-[2-(1,3-thiazol-4-yl)ethyl]-1,3-thiazolane-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L731-0547
(4S)-3-[2-(phenylsulfanyl)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

L731-0547

Molecular Formula

C17H19N3O2S3 (C17 H19 N3 O2 S3)

Compound Name

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

IUPAC name

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

SMILES

O=C(CSc1ccccc1)N(CSC1)C1C(NCCc1cscn1)=O

InChI

InChI=1S/C17H19N3O2S3/c21-16(10-25-14-4-2-1-3-5-14)20-12-24-9-15(20)17(22)18-7-6-13-8-23-11-19-13/h1-5,8,11,15H,6-7,9-10,12H2,(H,18,22)/t15-/m0/s1

InChI Key

GVOIJFYQVKEEBW-HNNXBMFYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.224

Distribution Coefficient, logD

2.224

Water Solubility, LogSw

-2.52

Polar Surface Area

50.785

Acid Dissociation Constant (pKa)

14.49

Base Dissociation Constant (pKb)

3.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.29

L731-0547 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • Mimetics
  • 3D
  • Cyclic compounds
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with L731-0547 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L731-0547?
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What is the minimum amount of L731-0547 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L731-0547
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L731-0547
  • 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 L731-0547 available by request