L329-0254 Screening compound: 1,3-dimethyl-6-{4-[2-(phenylsulfanyl)acetyl]piperazin-1-yl}-1,2,3,4-tetrahydropyrimidine-2,4-dione

L329-0254 Screening compound: 1,3-dimethyl-6-{4-[2-(phenylsulfanyl)acetyl]piperazin-1-yl}-1,2,3,4-tetrahydropyrimidine-2,4-dione
L329-0254 Screening compound: 1,3-dimethyl-6-{4-[2-(phenylsulfanyl)acetyl]piperazin-1-yl}-1,2,3,4-tetrahydropyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound L329-0254
1,3-dimethyl-6-{4-[2-(phenylsulfanyl)acetyl]piperazin-1-yl}-1,2,3,4-tetrahydropyrimidine-2,4-dione

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

L329-0254

Molecular Formula

C18H22N4O3S (C18 H22 N4 O3 S)

Compound Name

1,3-dimethyl-6-{4-[2-(phenylsulfanyl)acetyl]piperazin-1-yl}-1,2,3,4-tetrahydropyrimidine-2,4-dione

IUPAC name

13-dimethyl-6-{4-[2-(phenylsulfanyl)acetyl]piperazin-1-yl}-1234-tetrahydropyrimidine-24-dione

SMILES

CN(C(C=C(N1C)N(CC2)CCN2C(CSc2ccccc2)=O)=O)C1=O

InChI

InChI=1S/C18H22N4O3S/c1-19-15(12-16(23)20(2)18(19)25)21-8-10-22(11-9-21)17(24)13-26-14-6-4-3-5-7-14/h3-7,12H,8-11,13H2,1-2H3

InChI Key

PQJPNDSKGKIXNN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27246269

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.418

Distribution Coefficient, logD

1.418

Water Solubility, LogSw

-2.06

Polar Surface Area

51.653

Acid Dissociation Constant (pKa)

25.23

Base Dissociation Constant (pKb)

-0.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

L329-0254 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

GPCR Targeted Library (31838 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Immune system
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L329-0254 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L329-0254?
Check Price and Availability of L329-0254, 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 L329-0254 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L329-0254
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L329-0254
  • 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 L329-0254 available by request