S428-1173 Screening compound: 3-methyl-6-[(4-{3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl}piperidin-1-yl)sulfonyl]-2,3-dihydro-1,3-benzoxazol-2-one

S428-1173 Screening compound: 3-methyl-6-[(4-{3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl}piperidin-1-yl)sulfonyl]-2,3-dihydro-1,3-benzoxazol-2-one
S428-1173 Screening compound: 3-methyl-6-[(4-{3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl}piperidin-1-yl)sulfonyl]-2,3-dihydro-1,3-benzoxazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S428-1173
3-methyl-6-[(4-{3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl}piperidin-1-yl)sulfonyl]-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

S428-1173

Molecular Formula

C26H33N5O7S (C26 H33 N5 O7 S)

Compound Name

3-methyl-6-[(4-{3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl}piperidin-1-yl)sulfonyl]-2,3-dihydro-1,3-benzoxazol-2-one

IUPAC name

3-methyl-6-[(4-{3-[3-(oxan-4-yl)-124-oxadiazol-5-yl]piperidine-1-carbonyl}piperidin-1-yl)sulfonyl]-23-dihydro-13-benzoxazol-2-one

SMILES

CN(c(ccc(S(N(CC1)CCC1C(N(CCC1)CC1c1nc(C2CCOCC2)no1)=O)(=O)=O)c1)c1O1)C1=O

InChI

InChI=1S/C26H33N5O7S/c1-29-21-5-4-20(15-22(21)37-26(29)33)39(34,35)31-11-6-18(7-12-31)25(32)30-10-2-3-19(16-30)24-27-23(28-38-24)17-8-13-36-14-9-17/h4-5,15,17-19H,2-3,6-14,16H2,1H3/t19-/m0/s1

InChI Key

IBLOHSUFZUONPW-IBGZPJMESA-N

MDL Number (MFCD)

MFCD29011837

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

559.64

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

2.412

Distribution Coefficient, logD

2.412

Water Solubility, LogSw

-3.01

Polar Surface Area

110.903

Acid Dissociation Constant (pKa)

23.37

Base Dissociation Constant (pKb)

5.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.50

S428-1173 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)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S428-1173 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S428-1173?
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What is the minimum amount of S428-1173 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S428-1173
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S428-1173
  • 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 S428-1173 available by request