S429-1314 Screening compound: 6-methyl-4-{4-[4-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-4-oxobutyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one

S429-1314 Screening compound: 6-methyl-4-{4-[4-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-4-oxobutyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one
S429-1314 Screening compound: 6-methyl-4-{4-[4-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-4-oxobutyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S429-1314
6-methyl-4-{4-[4-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-4-oxobutyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one

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

S429-1314

Molecular Formula

C22H28N4O4 (C22 H28 N4 O4)

Compound Name

6-methyl-4-{4-[4-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-4-oxobutyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one

IUPAC name

6-methyl-4-{4-[4-methyl-4-(5-methyl-124-oxadiazol-3-yl)piperidin-1-yl]-4-oxobutyl}-34-dihydro-2H-14-benzoxazin-3-one

SMILES

CC(CC1)(CCN1C(CCCN1c(cc(C)cc2)c2OCC1=O)=O)c1noc(C)n1

InChI

InChI=1S/C22H28N4O4/c1-15-6-7-18-17(13-15)26(20(28)14-29-18)10-4-5-19(27)25-11-8-22(3,9-12-25)21-23-16(2)30-24-21/h6-7,13H,4-5,8-12,14H2,1-3H3

InChI Key

RVMASUIDIKPAJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31992549

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.716

Distribution Coefficient, logD

1.716

Water Solubility, LogSw

-2.05

Polar Surface Area

71.344

Acid Dissociation Constant (pKa)

21.08

Base Dissociation Constant (pKb)

5.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.54

S429-1314 in Drug Discovery

Included in Screening Libraries

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 S429-1314 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S429-1314?
Check Price and Availability of S429-1314, 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 S429-1314 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S429-1314
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S429-1314
  • 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 S429-1314 available by request