L966-0053 Screening compound: N-(4-chloro-3-fluorophenyl)-2-{[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide

L966-0053 Screening compound: N-(4-chloro-3-fluorophenyl)-2-{[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
L966-0053 Screening compound: N-(4-chloro-3-fluorophenyl)-2-{[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L966-0053
N-(4-chloro-3-fluorophenyl)-2-{[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}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

L966-0053

Molecular Formula

C22H16ClFN4O2S2 (C22 H16 ClFN4 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C(N=C(N2)SCC(Nc(cc3)cc(F)c3Cl)=O)=CC2=O)sc(-c2ccccc2)n1

InChI

InChI=1S/C22H16ClFN4O2S2/c1-12-20(32-21(25-12)13-5-3-2-4-6-13)17-10-18(29)28-22(27-17)31-11-19(30)26-14-7-8-15(23)16(24)9-14/h2-10H,11H2,1H3,(H,26,30)(H,27,28,29)

InChI Key

BRBKESNFTMOWLM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27490231

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.98

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

4.827

Distribution Coefficient, logD

4.508

Water Solubility, LogSw

-4.90

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

9.10

L966-0053 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 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 L966-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L966-0053?
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What is the minimum amount of L966-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L966-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L966-0053
  • 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 L966-0053 available by request