L966-0249 Screening compound: 2-({4-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-6-oxo-1,6-dihydropyrimidin-2-yl}sulfanyl)-N-(3-methylphenyl)acetamide

L966-0249 Screening compound: 2-({4-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-6-oxo-1,6-dihydropyrimidin-2-yl}sulfanyl)-N-(3-methylphenyl)acetamide
L966-0249 Screening compound: 2-({4-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-6-oxo-1,6-dihydropyrimidin-2-yl}sulfanyl)-N-(3-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L966-0249
2-({4-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-6-oxo-1,6-dihydropyrimidin-2-yl}sulfanyl)-N-(3-methylphenyl)acetamide

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

L966-0249

Molecular Formula

C23H19ClN4O2S2 (C23 H19 ClN4 O2 S2)

Compound Name

2-({4-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-6-oxo-1,6-dihydropyrimidin-2-yl}sulfanyl)-N-(3-methylphenyl)acetamide

IUPAC name

2-({4-[2-(4-chlorophenyl)-4-methyl-13-thiazol-5-yl]-6-oxo-16-dihydropyrimidin-2-yl}sulfanyl)-N-(3-methylphenyl)acetamide

SMILES

Cc1c(C(N=C(N2)SCC(Nc3cc(C)ccc3)=O)=CC2=O)sc(-c(cc2)ccc2Cl)n1

InChI

InChI=1S/C23H19ClN4O2S2/c1-13-4-3-5-17(10-13)26-20(30)12-31-23-27-18(11-19(29)28-23)21-14(2)25-22(32-21)15-6-8-16(24)9-7-15/h3-11H,12H2,1-2H3,(H,26,30)(H,27,28,29)

InChI Key

ITNPXUNNQDXUNB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15137838

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.01

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.180

Distribution Coefficient, logD

4.860

Water Solubility, LogSw

-5.61

Polar Surface Area

67.990

Acid Dissociation Constant (pKa)

7.36

Base Dissociation Constant (pKb)

0.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

L966-0249 in Drug Discovery

Included in Screening Libraries

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 L966-0249 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L966-0249?
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What is the minimum amount of L966-0249 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L966-0249
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L966-0249
  • 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 L966-0249 available by request