P144-1285 Screening compound: 2-{2-[(4-fluorobenzyl)sulfanyl]-6-oxo-1,6-dihydro-4-pyrimidinyl}-N-(4-methylbenzyl)acetamide

P144-1285 Screening compound: 2-{2-[(4-fluorobenzyl)sulfanyl]-6-oxo-1,6-dihydro-4-pyrimidinyl}-N-(4-methylbenzyl)acetamide
P144-1285 Screening compound: 2-{2-[(4-fluorobenzyl)sulfanyl]-6-oxo-1,6-dihydro-4-pyrimidinyl}-N-(4-methylbenzyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P144-1285
2-{2-[(4-fluorobenzyl)sulfanyl]-6-oxo-1,6-dihydro-4-pyrimidinyl}-N-(4-methylbenzyl)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

P144-1285

Molecular Formula

C21H20FN3O2S (C21 H20 FN3 O2 S)

Compound Name

2-{2-[(4-fluorobenzyl)sulfanyl]-6-oxo-1,6-dihydro-4-pyrimidinyl}-N-(4-methylbenzyl)acetamide

IUPAC name

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

SMILES

Cc1ccc(CNC(CC(N=C(N2)SCc(cc3)ccc3F)=CC2=O)=O)cc1

InChI

InChI=1S/C21H20FN3O2S/c1-14-2-4-15(5-3-14)12-23-19(26)10-18-11-20(27)25-21(24-18)28-13-16-6-8-17(22)9-7-16/h2-9,11H,10,12-13H2,1H3,(H,23,26)(H,24,25,27)

InChI Key

YPVLVHLDSQBFDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12011549

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.708

Distribution Coefficient, logD

2.325

Water Solubility, LogSw

-3.08

Polar Surface Area

59.107

Acid Dissociation Constant (pKa)

7.25

Base Dissociation Constant (pKb)

-2.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.05

P144-1285 in Drug Discovery

Included in Screening Libraries

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

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 P144-1285 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P144-1285?
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What is the minimum amount of P144-1285 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P144-1285
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P144-1285
  • 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 P144-1285 available by request