L728-0003 Screening compound: 1-(4-CHLOROBENZOYL)-N-[2-(2-METHYL-1,3-THIAZOL-4-YL)ETHYL]PROLINAMIDE

L728-0003 Screening compound: 1-(4-CHLOROBENZOYL)-N-[2-(2-METHYL-1,3-THIAZOL-4-YL)ETHYL]PROLINAMIDE
L728-0003 Screening compound: 1-(4-CHLOROBENZOYL)-N-[2-(2-METHYL-1,3-THIAZOL-4-YL)ETHYL]PROLINAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound L728-0003
1-(4-CHLOROBENZOYL)-N-[2-(2-METHYL-1,3-THIAZOL-4-YL)ETHYL]PROLINAMIDE

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

L728-0003

Molecular Formula

C18H20ClN3O2S (C18 H20 ClN3 O2 S)

Compound Name

1-(4-CHLOROBENZOYL)-N-[2-(2-METHYL-1,3-THIAZOL-4-YL)ETHYL]PROLINAMIDE

IUPAC name

n/a

SMILES

Cc1nc(CCNC(C(CCC2)N2C(c(cc2)ccc2Cl)=O)=O)cs1

InChI

InChI=1S/C18H20ClN3O2S/c1-12-21-15(11-25-12)8-9-20-17(23)16-3-2-10-22(16)18(24)13-4-6-14(19)7-5-13/h4-7,11,16H,2-3,8-10H2,1H3,(H,20,23)/t16-/m0/s1

InChI Key

ODBIKJLURQVHNS-INIZCTEOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.89

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.626

Distribution Coefficient, logD

2.625

Water Solubility, LogSw

-3.62

Polar Surface Area

51.509

Acid Dissociation Constant (pKa)

14.53

Base Dissociation Constant (pKb)

3.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.90

L728-0003 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

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

Hsp90-Targeted Library (11355 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

PI3K-Targeted Library (17255 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • Mimetics
  • 3D
  • Cyclic compounds
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases
  • Proteases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with L728-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L728-0003?
Check Price and Availability of L728-0003, 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 L728-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L728-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L728-0003
  • 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 L728-0003 available by request