P435-0768 Screening compound: 4-{2-[1-(2H-1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-5-methyl-1,3-oxazole-4-carbonyl}thiomorpholine

P435-0768 Screening compound: 4-{2-[1-(2H-1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-5-methyl-1,3-oxazole-4-carbonyl}thiomorpholine
P435-0768 Screening compound: 4-{2-[1-(2H-1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-5-methyl-1,3-oxazole-4-carbonyl}thiomorpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound P435-0768
4-{2-[1-(2H-1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-5-methyl-1,3-oxazole-4-carbonyl}thiomorpholine

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

P435-0768

Molecular Formula

C22H25N3O5S (C22 H25 N3 O5 S)

Compound Name

4-{2-[1-(2H-1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-5-methyl-1,3-oxazole-4-carbonyl}thiomorpholine

IUPAC name

4-{2-[1-(2H-13-benzodioxole-5-carbonyl)piperidin-4-yl]-5-methyl-13-oxazole-4-carbonyl}thiomorpholine

SMILES

Cc1c(C(N2CCSCC2)=O)nc(C(CC2)CCN2C(c(cc2)cc3c2OCO3)=O)o1

InChI

InChI=1S/C22H25N3O5S/c1-14-19(22(27)25-8-10-31-11-9-25)23-20(30-14)15-4-6-24(7-5-15)21(26)16-2-3-17-18(12-16)29-13-28-17/h2-3,12,15H,4-11,13H2,1H3

InChI Key

TYWHIGPTWPCYOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27575250

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.064

Distribution Coefficient, logD

2.064

Water Solubility, LogSw

-2.74

Polar Surface Area

68.277

Acid Dissociation Constant (pKa)

26.16

Base Dissociation Constant (pKb)

-2.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

P435-0768 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P435-0768 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P435-0768?
Check Price and Availability of P435-0768, 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 P435-0768 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P435-0768
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P435-0768
  • 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 P435-0768 available by request