P435-1731 Screening compound: 4-[2-(1-{1-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carbonyl}piperidin-4-yl)-5-methyl-1,3-oxazole-4-carbonyl]morpholine

P435-1731 Screening compound: 4-[2-(1-{1-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carbonyl}piperidin-4-yl)-5-methyl-1,3-oxazole-4-carbonyl]morpholine
P435-1731 Screening compound: 4-[2-(1-{1-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carbonyl}piperidin-4-yl)-5-methyl-1,3-oxazole-4-carbonyl]morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound P435-1731
4-[2-(1-{1-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carbonyl}piperidin-4-yl)-5-methyl-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

P435-1731

Molecular Formula

C28H33FN4O4 (C28 H33 FN4 O4)

Compound Name

4-[2-(1-{1-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carbonyl}piperidin-4-yl)-5-methyl-1,3-oxazole-4-carbonyl]morpholine

IUPAC name

4-[2-(1-{1-[(4-fluorophenyl)methyl]-25-dimethyl-1H-pyrrole-3-carbonyl}piperidin-4-yl)-5-methyl-13-oxazole-4-carbonyl]morpholine

SMILES

Cc1cc(C(N(CC2)CCC2c2nc(C(N3CCOCC3)=O)c(C)o2)=O)c(C)n1Cc(cc1)ccc1F

InChI

InChI=1S/C28H33FN4O4/c1-18-16-24(19(2)33(18)17-21-4-6-23(29)7-5-21)27(34)31-10-8-22(9-11-31)26-30-25(20(3)37-26)28(35)32-12-14-36-15-13-32/h4-7,16,22H,8-15,17H2,1-3H3

InChI Key

YCWIOKQMNQTMCQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31958377

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.894

Distribution Coefficient, logD

2.894

Water Solubility, LogSw

-3.01

Polar Surface Area

60.992

Acid Dissociation Constant (pKa)

26.16

Base Dissociation Constant (pKb)

-2.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.43

P435-1731 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)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P435-1731 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P435-1731?
Check Price and Availability of P435-1731, 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 P435-1731 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P435-1731
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P435-1731
  • 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 P435-1731 available by request