S429-1058 Screening compound: 3-(3-chloro-1,2-oxazol-5-yl)-1-{4-methyl-4-[5-(pyridin-4-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl}propan-1-one

S429-1058 Screening compound: 3-(3-chloro-1,2-oxazol-5-yl)-1-{4-methyl-4-[5-(pyridin-4-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl}propan-1-one
S429-1058 Screening compound: 3-(3-chloro-1,2-oxazol-5-yl)-1-{4-methyl-4-[5-(pyridin-4-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl}propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S429-1058
3-(3-chloro-1,2-oxazol-5-yl)-1-{4-methyl-4-[5-(pyridin-4-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl}propan-1-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

S429-1058

Molecular Formula

C19H20ClN5O3 (C19 H20 ClN5 O3)

Compound Name

3-(3-chloro-1,2-oxazol-5-yl)-1-{4-methyl-4-[5-(pyridin-4-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl}propan-1-one

IUPAC name

3-(3-chloro-12-oxazol-5-yl)-1-{4-methyl-4-[5-(pyridin-4-yl)-124-oxadiazol-3-yl]piperidin-1-yl}propan-1-one

SMILES

CC(CC1)(CCN1C(CCc1cc(Cl)no1)=O)c1noc(-c2ccncc2)n1

InChI

InChI=1S/C19H20ClN5O3/c1-19(18-22-17(28-24-18)13-4-8-21-9-5-13)6-10-25(11-7-19)16(26)3-2-14-12-15(20)23-27-14/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3

InChI Key

FVQGKBJNCYOJGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31960058

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.85

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

2.305

Distribution Coefficient, logD

2.304

Water Solubility, LogSw

-3.15

Polar Surface Area

78.037

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

4.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

S429-1058 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S429-1058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S429-1058?
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What is the minimum amount of S429-1058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S429-1058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S429-1058
  • 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 S429-1058 available by request