L528-0044 Screening compound: N-(7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-phenylbutanamide

L528-0044 Screening compound: N-(7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-phenylbutanamide
L528-0044 Screening compound: N-(7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-phenylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L528-0044
N-(7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-phenylbutanamide

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

L528-0044

Molecular Formula

C17H17N3O2S (C17 H17 N3 O2 S)

Compound Name

N-(7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-phenylbutanamide

IUPAC name

N-{7-methyl-5-oxo-5H-[13]thiazolo[32-a]pyrimidin-6-yl}-2-phenylbutanamide

SMILES

CCC(C(NC1=C(C)N=C2SC=CN2C1=O)=O)c1ccccc1

InChI

InChI=1S/C17H17N3O2S/c1-3-13(12-7-5-4-6-8-12)15(21)19-14-11(2)18-17-20(16(14)22)9-10-23-17/h4-10,13H,3H2,1-2H3,(H,19,21)

InChI Key

OEFUDJLDCIEYCP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09245465

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.826

Distribution Coefficient, logD

1.475

Water Solubility, LogSw

-2.32

Polar Surface Area

48.395

Acid Dissociation Constant (pKa)

7.31

Base Dissociation Constant (pKb)

0.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.53

L528-0044 in Drug Discovery

Included in Screening Libraries

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

Cysteine Proteases Inhibitors Library (7839 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with L528-0044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L528-0044?
Check Price and Availability of L528-0044, 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 L528-0044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L528-0044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L528-0044
  • 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 L528-0044 available by request