S723-0762 Screening compound: 3-{2-oxo-2-[4-({4-[(pyridin-4-yloxy)methyl]phenyl}methyl)piperidin-1-yl]ethyl}-2,3-dihydro-1,3-benzoxazol-2-one

S723-0762 Screening compound: 3-{2-oxo-2-[4-({4-[(pyridin-4-yloxy)methyl]phenyl}methyl)piperidin-1-yl]ethyl}-2,3-dihydro-1,3-benzoxazol-2-one
S723-0762 Screening compound: 3-{2-oxo-2-[4-({4-[(pyridin-4-yloxy)methyl]phenyl}methyl)piperidin-1-yl]ethyl}-2,3-dihydro-1,3-benzoxazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S723-0762
3-{2-oxo-2-[4-({4-[(pyridin-4-yloxy)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

S723-0762

Molecular Formula

C27H27N3O4 (C27 H27 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

O=C(CN(c(cccc1)c1O1)C1=O)N1CCC(Cc2ccc(COc3ccncc3)cc2)CC1

InChI

InChI=1S/C27H27N3O4/c31-26(18-30-24-3-1-2-4-25(24)34-27(30)32)29-15-11-21(12-16-29)17-20-5-7-22(8-6-20)19-33-23-9-13-28-14-10-23/h1-10,13-14,21H,11-12,15-19H2

InChI Key

XKLYHGIIZXRFMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31987968

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.501

Distribution Coefficient, logD

3.499

Water Solubility, LogSw

-3.58

Polar Surface Area

55.844

Acid Dissociation Constant (pKa)

21.85

Base Dissociation Constant (pKb)

5.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.63

S723-0762 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)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with S723-0762 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S723-0762?
Check Price and Availability of S723-0762, 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 S723-0762 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S723-0762
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S723-0762
  • 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 S723-0762 available by request