P435-1533 Screening compound: 4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]-1-phenylmethanesulfonylpiperidine

P435-1533 Screening compound: 4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]-1-phenylmethanesulfonylpiperidine
P435-1533 Screening compound: 4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]-1-phenylmethanesulfonylpiperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound P435-1533
4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]-1-phenylmethanesulfonylpiperidine

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

P435-1533

Molecular Formula

C21H27N3O4S (C21 H27 N3 O4 S)

Compound Name

4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]-1-phenylmethanesulfonylpiperidine

IUPAC name

4-[5-methyl-4-(pyrrolidine-1-carbonyl)-13-oxazol-2-yl]-1-phenylmethanesulfonylpiperidine

SMILES

Cc1c(C(N2CCCC2)=O)nc(C(CC2)CCN2S(Cc2ccccc2)(=O)=O)o1

InChI

InChI=1S/C21H27N3O4S/c1-16-19(21(25)23-11-5-6-12-23)22-20(28-16)18-9-13-24(14-10-18)29(26,27)15-17-7-3-2-4-8-17/h2-4,7-8,18H,5-6,9-15H2,1H3

InChI Key

TWGWZZDNQGMOIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27575470

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.442

Distribution Coefficient, logD

2.442

Water Solubility, LogSw

-2.49

Polar Surface Area

66.485

Acid Dissociation Constant (pKa)

20.60

Base Dissociation Constant (pKb)

-1.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

P435-1533 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 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
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P435-1533 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P435-1533?
Check Price and Availability of P435-1533, 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 P435-1533 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P435-1533
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P435-1533
  • 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 P435-1533 available by request