L966-0055 Screening compound: methyl 4-(2-{[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate

L966-0055 Screening compound: methyl 4-(2-{[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate
L966-0055 Screening compound: methyl 4-(2-{[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L966-0055
methyl 4-(2-{[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate

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

L966-0055

Molecular Formula

C24H20N4O4S2 (C24 H20 N4 O4 S2)

Compound Name

methyl 4-(2-{[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate

IUPAC name

methyl 4-(2-{[4-(4-methyl-2-phenyl-13-thiazol-5-yl)-6-oxo-16-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate

SMILES

Cc1c(C(N=C(N2)SCC(Nc(cc3)ccc3C(OC)=O)=O)=CC2=O)sc(-c2ccccc2)n1

InChI

InChI=1S/C24H20N4O4S2/c1-14-21(34-22(25-14)15-6-4-3-5-7-15)18-12-19(29)28-24(27-18)33-13-20(30)26-17-10-8-16(9-11-17)23(31)32-2/h3-12H,13H2,1-2H3,(H,26,30)(H,27,28,29)

InChI Key

WFCBBNASSUMZNR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15137832

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.211

Distribution Coefficient, logD

3.891

Water Solubility, LogSw

-4.27

Polar Surface Area

89.164

Acid Dissociation Constant (pKa)

7.36

Base Dissociation Constant (pKb)

0.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

L966-0055 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • 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 L966-0055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L966-0055?
Check Price and Availability of L966-0055, 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 L966-0055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L966-0055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L966-0055
  • 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 L966-0055 available by request