S722-2461 Screening compound: 3-{2-oxo-2-[4-({4-[(piperidin-1-yl)methyl]phenyl}methyl)piperidin-1-yl]ethyl}-2,3-dihydro-1,3-benzoxazol-2-one

S722-2461 Screening compound: 3-{2-oxo-2-[4-({4-[(piperidin-1-yl)methyl]phenyl}methyl)piperidin-1-yl]ethyl}-2,3-dihydro-1,3-benzoxazol-2-one
S722-2461 Screening compound: 3-{2-oxo-2-[4-({4-[(piperidin-1-yl)methyl]phenyl}methyl)piperidin-1-yl]ethyl}-2,3-dihydro-1,3-benzoxazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S722-2461
3-{2-oxo-2-[4-({4-[(piperidin-1-yl)methyl]phenyl}methyl)piperidin-1-yl]ethyl}-2,3-dihydro-1,3-benzoxazol-2-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

S722-2461

Molecular Formula

C27H33N3O3 (C27 H33 N3 O3)

Compound Name

3-{2-oxo-2-[4-({4-[(piperidin-1-yl)methyl]phenyl}methyl)piperidin-1-yl]ethyl}-2,3-dihydro-1,3-benzoxazol-2-one

IUPAC name

3-{2-oxo-2-[4-({4-[(piperidin-1-yl)methyl]phenyl}methyl)piperidin-1-yl]ethyl}-23-dihydro-13-benzoxazol-2-one

SMILES

O=C(CN(c(cccc1)c1O1)C1=O)N1CCC(Cc2ccc(CN3CCCCC3)cc2)CC1

InChI

InChI=1S/C27H33N3O3/c31-26(20-30-24-6-2-3-7-25(24)33-27(30)32)29-16-12-22(13-17-29)18-21-8-10-23(11-9-21)19-28-14-4-1-5-15-28/h2-3,6-11,22H,1,4-5,12-20H2

InChI Key

HPXUTWKSABRRCQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32226798

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.953

Distribution Coefficient, logD

1.768

Water Solubility, LogSw

-4.08

Polar Surface Area

42.920

Acid Dissociation Constant (pKa)

21.85

Base Dissociation Constant (pKb)

9.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.15

S722-2461 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)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S722-2461 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S722-2461?
Check Price and Availability of S722-2461, 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 S722-2461 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S722-2461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S722-2461
  • 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 S722-2461 available by request