S429-1181 Screening compound: 4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-methylpiperidin-1-yl]-4-oxo-N-{4-[(piperidin-1-yl)methyl]phenyl}butanamide

S429-1181 Screening compound: 4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-methylpiperidin-1-yl]-4-oxo-N-{4-[(piperidin-1-yl)methyl]phenyl}butanamide
S429-1181 Screening compound: 4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-methylpiperidin-1-yl]-4-oxo-N-{4-[(piperidin-1-yl)methyl]phenyl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S429-1181
4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-methylpiperidin-1-yl]-4-oxo-N-{4-[(piperidin-1-yl)methyl]phenyl}butanamide

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

S429-1181

Molecular Formula

C27H37N5O3 (C27 H37 N5 O3)

Compound Name

4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-methylpiperidin-1-yl]-4-oxo-N-{4-[(piperidin-1-yl)methyl]phenyl}butanamide

IUPAC name

4-[4-(5-cyclopropyl-124-oxadiazol-3-yl)-4-methylpiperidin-1-yl]-4-oxo-N-{4-[(piperidin-1-yl)methyl]phenyl}butanamide

SMILES

CC(CC1)(CCN1C(CCC(Nc1ccc(CN2CCCCC2)cc1)=O)=O)c1noc(C2CC2)n1

InChI

InChI=1S/C27H37N5O3/c1-27(26-29-25(35-30-26)21-7-8-21)13-17-32(18-14-27)24(34)12-11-23(33)28-22-9-5-20(6-10-22)19-31-15-3-2-4-16-31/h5-6,9-10,21H,2-4,7-8,11-19H2,1H3,(H,28,33)

InChI Key

ZTIGIFZLSLPJSH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31976988

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.207

Distribution Coefficient, logD

1.625

Water Solubility, LogSw

-3.31

Polar Surface Area

75.170

Acid Dissociation Constant (pKa)

11.87

Base Dissociation Constant (pKb)

8.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

62.96

S429-1181 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)

Regenerative Medicine Focused Library (23016 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with S429-1181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S429-1181?
Check Price and Availability of S429-1181, 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 S429-1181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S429-1181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S429-1181
  • 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 S429-1181 available by request