L628-0114 Screening compound: 2-{1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-4-piperidyl}-1-[4-(2-pyrimidinyl)piperazino]-1-ethanone

L628-0114 Screening compound: 2-{1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-4-piperidyl}-1-[4-(2-pyrimidinyl)piperazino]-1-ethanone
L628-0114 Screening compound: 2-{1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-4-piperidyl}-1-[4-(2-pyrimidinyl)piperazino]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound L628-0114
2-{1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-4-piperidyl}-1-[4-(2-pyrimidinyl)piperazino]-1-ethanone

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

L628-0114

Molecular Formula

C20H28N6O4S (C20 H28 N6 O4 S)

Compound Name

2-{1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-4-piperidyl}-1-[4-(2-pyrimidinyl)piperazino]-1-ethanone

IUPAC name

n/a

SMILES

Cc1noc(C)c1S(N1CCC(CC(N(CC2)CCN2c2ncccn2)=O)CC1)(=O)=O

InChI

InChI=1S/C20H28N6O4S/c1-15-19(16(2)30-23-15)31(28,29)26-8-4-17(5-9-26)14-18(27)24-10-12-25(13-11-24)20-21-6-3-7-22-20/h3,6-7,17H,4-5,8-14H2,1-2H3

InChI Key

PKNPIBGIUCMJRJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27466183

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.55

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.311

Distribution Coefficient, logD

1.311

Water Solubility, LogSw

-1.79

Polar Surface Area

91.731

Acid Dissociation Constant (pKa)

21.15

Base Dissociation Constant (pKb)

2.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

L628-0114 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with L628-0114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L628-0114?
Check Price and Availability of L628-0114, 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 L628-0114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L628-0114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L628-0114
  • 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 L628-0114 available by request