S497-1529 Screening compound: 2-[5-(2-{[1-(1,5-dimethyl-1H-pyrazole-3-carbonyl)azetidin-3-yl]oxy}phenyl)-1,2,4-oxadiazol-3-yl]pyrazine

S497-1529 Screening compound: 2-[5-(2-{[1-(1,5-dimethyl-1H-pyrazole-3-carbonyl)azetidin-3-yl]oxy}phenyl)-1,2,4-oxadiazol-3-yl]pyrazine
S497-1529 Screening compound: 2-[5-(2-{[1-(1,5-dimethyl-1H-pyrazole-3-carbonyl)azetidin-3-yl]oxy}phenyl)-1,2,4-oxadiazol-3-yl]pyrazine alternative view

Chemical Structure Depiction of ChemDiv screening compound S497-1529
2-[5-(2-{[1-(1,5-dimethyl-1H-pyrazole-3-carbonyl)azetidin-3-yl]oxy}phenyl)-1,2,4-oxadiazol-3-yl]pyrazine

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

S497-1529

Molecular Formula

C21H19N7O3 (C21 H19 N7 O3)

Compound Name

2-[5-(2-{[1-(1,5-dimethyl-1H-pyrazole-3-carbonyl)azetidin-3-yl]oxy}phenyl)-1,2,4-oxadiazol-3-yl]pyrazine

IUPAC name

2-[5-(2-{[1-(15-dimethyl-1H-pyrazole-3-carbonyl)azetidin-3-yl]oxy}phenyl)-124-oxadiazol-3-yl]pyrazine

SMILES

Cc1cc(C(N(C2)CC2Oc(cccc2)c2-c2nc(-c3nccnc3)no2)=O)nn1C

InChI

InChI=1S/C21H19N7O3/c1-13-9-16(25-27(13)2)21(29)28-11-14(12-28)30-18-6-4-3-5-15(18)20-24-19(26-31-20)17-10-22-7-8-23-17/h3-10,14H,11-12H2,1-2H3

InChI Key

ZJIGKLWIVCOFPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31960186

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.200

Distribution Coefficient, logD

1.200

Water Solubility, LogSw

-1.80

Polar Surface Area

87.891

Acid Dissociation Constant (pKa)

27.53

Base Dissociation Constant (pKb)

2.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.81

S497-1529 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with S497-1529 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S497-1529?
Check Price and Availability of S497-1529, 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 S497-1529 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S497-1529
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S497-1529
  • 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 S497-1529 available by request