P144-0999 Screening compound: 2-(2-{[(4-methylphenyl)methyl]sulfanyl}-6-oxo-1,6-dihydropyrimidin-4-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}acetamide

P144-0999 Screening compound: 2-(2-{[(4-methylphenyl)methyl]sulfanyl}-6-oxo-1,6-dihydropyrimidin-4-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}acetamide
P144-0999 Screening compound: 2-(2-{[(4-methylphenyl)methyl]sulfanyl}-6-oxo-1,6-dihydropyrimidin-4-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P144-0999
2-(2-{[(4-methylphenyl)methyl]sulfanyl}-6-oxo-1,6-dihydropyrimidin-4-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}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

P144-0999

Molecular Formula

C22H20F3N3O2S (C22 H20 F3 N3 O2 S)

Compound Name

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

IUPAC name

2-(2-{[(4-methylphenyl)methyl]sulfanyl}-6-oxo-16-dihydropyrimidin-4-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}acetamide

SMILES

Cc1ccc(CSC(N2)=NC(CC(NCc3cc(C(F)(F)F)ccc3)=O)=CC2=O)cc1

InChI

InChI=1S/C22H20F3N3O2S/c1-14-5-7-15(8-6-14)13-31-21-27-18(11-20(30)28-21)10-19(29)26-12-16-3-2-4-17(9-16)22(23,24)25/h2-9,11H,10,12-13H2,1H3,(H,26,29)(H,27,28,30)

InChI Key

BYDDJAVSNYQWIR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27566395

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.477

Distribution Coefficient, logD

3.095

Water Solubility, LogSw

-3.84

Polar Surface Area

59.107

Acid Dissociation Constant (pKa)

7.25

Base Dissociation Constant (pKb)

-2.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

P144-0999 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 P144-0999 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P144-0999?
Check Price and Availability of P144-0999, 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 P144-0999 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P144-0999
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P144-0999
  • 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 P144-0999 available by request