P435-0591 Screening compound: 4-{5-methyl-2-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carbonyl}morpholine

P435-0591 Screening compound: 4-{5-methyl-2-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carbonyl}morpholine
P435-0591 Screening compound: 4-{5-methyl-2-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carbonyl}morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound P435-0591
4-{5-methyl-2-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carbonyl}morpholine

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

P435-0591

Molecular Formula

C20H25N3O4S (C20 H25 N3 O4 S)

Compound Name

4-{5-methyl-2-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carbonyl}morpholine

IUPAC name

4-{5-methyl-2-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]-13-oxazole-4-carbonyl}morpholine

SMILES

Cc1c(C(N(CC2)CCC2c2nc(C(N3CCOCC3)=O)c(C)o2)=O)scc1

InChI

InChI=1S/C20H25N3O4S/c1-13-5-12-28-17(13)20(25)22-6-3-15(4-7-22)18-21-16(14(2)27-18)19(24)23-8-10-26-11-9-23/h5,12,15H,3-4,6-11H2,1-2H3

InChI Key

RDCFFJSPKAWDOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27575187

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.5

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

2.144

Distribution Coefficient, logD

2.144

Water Solubility, LogSw

-2.32

Polar Surface Area

60.089

Acid Dissociation Constant (pKa)

26.24

Base Dissociation Constant (pKb)

-0.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.00

P435-0591 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P435-0591 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P435-0591?
Check Price and Availability of P435-0591, 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 P435-0591 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P435-0591
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P435-0591
  • 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 P435-0591 available by request