P435-0680 Screening compound: 4-{5-methyl-2-[1-(4-methylbenzoyl)piperidin-4-yl]-1,3-oxazole-4-carbonyl}morpholine

P435-0680 Screening compound: 4-{5-methyl-2-[1-(4-methylbenzoyl)piperidin-4-yl]-1,3-oxazole-4-carbonyl}morpholine
P435-0680 Screening compound: 4-{5-methyl-2-[1-(4-methylbenzoyl)piperidin-4-yl]-1,3-oxazole-4-carbonyl}morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound P435-0680
4-{5-methyl-2-[1-(4-methylbenzoyl)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

P435-0680

Molecular Formula

C22H27N3O4 (C22 H27 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C(N2CCOCC2)=O)nc(C(CC2)CCN2C(c2ccc(C)cc2)=O)o1

InChI

InChI=1S/C22H27N3O4/c1-15-3-5-18(6-4-15)21(26)24-9-7-17(8-10-24)20-23-19(16(2)29-20)22(27)25-11-13-28-14-12-25/h3-6,17H,7-14H2,1-2H3

InChI Key

VSFXMHWYJWHODR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27575227

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.47

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

2.065

Distribution Coefficient, logD

2.065

Water Solubility, LogSw

-2.36

Polar Surface Area

59.070

Acid Dissociation Constant (pKa)

26.16

Base Dissociation Constant (pKb)

-2.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

P435-0680 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 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

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
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 P435-0680 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P435-0680?
Check Price and Availability of P435-0680, 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 P435-0680 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P435-0680
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P435-0680
  • 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 P435-0680 available by request