S429-1254 Screening compound: 3-[3-(1-{1-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carbonyl}-4-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]pyridine

S429-1254 Screening compound: 3-[3-(1-{1-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carbonyl}-4-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]pyridine
S429-1254 Screening compound: 3-[3-(1-{1-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carbonyl}-4-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S429-1254
3-[3-(1-{1-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carbonyl}-4-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]pyridine

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

S429-1254

Molecular Formula

C27H28FN5O2 (C27 H28 FN5 O2)

Compound Name

3-[3-(1-{1-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carbonyl}-4-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]pyridine

IUPAC name

3-[3-(1-{1-[(4-fluorophenyl)methyl]-25-dimethyl-1H-pyrrole-3-carbonyl}-4-methylpiperidin-4-yl)-124-oxadiazol-5-yl]pyridine

SMILES

CC(CC1)(CCN1C(c1c(C)n(Cc(cc2)ccc2F)c(C)c1)=O)c1noc(-c2cnccc2)n1

InChI

InChI=1S/C27H28FN5O2/c1-18-15-23(19(2)33(18)17-20-6-8-22(28)9-7-20)25(34)32-13-10-27(3,11-14-32)26-30-24(35-31-26)21-5-4-12-29-16-21/h4-9,12,15-16H,10-11,13-14,17H2,1-3H3

InChI Key

OQAXZCGKWACSOP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31979267

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.694

Distribution Coefficient, logD

3.600

Water Solubility, LogSw

-3.72

Polar Surface Area

59.732

Acid Dissociation Constant (pKa)

26.78

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

S429-1254 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S429-1254 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S429-1254?
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What is the minimum amount of S429-1254 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S429-1254
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S429-1254
  • 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 S429-1254 available by request