S049-0955 Screening compound: 2-methyl-3-(3-{4-[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy}pyrrolidine-1-carbonyl)pyridine

S049-0955 Screening compound: 2-methyl-3-(3-{4-[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy}pyrrolidine-1-carbonyl)pyridine
S049-0955 Screening compound: 2-methyl-3-(3-{4-[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy}pyrrolidine-1-carbonyl)pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S049-0955
2-methyl-3-(3-{4-[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy}pyrrolidine-1-carbonyl)pyridine

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

S049-0955

Molecular Formula

C22H24N4O3 (C22 H24 N4 O3)

Compound Name

2-methyl-3-(3-{4-[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy}pyrrolidine-1-carbonyl)pyridine

IUPAC name

2-methyl-3-(3-{4-[5-(propan-2-yl)-124-oxadiazol-3-yl]phenoxy}pyrrolidine-1-carbonyl)pyridine

SMILES

CC(C)c1nc(-c(cc2)ccc2OC(CC2)CN2C(c2c(C)nccc2)=O)no1

InChI

InChI=1S/C22H24N4O3/c1-14(2)21-24-20(25-29-21)16-6-8-17(9-7-16)28-18-10-12-26(13-18)22(27)19-5-4-11-23-15(19)3/h4-9,11,14,18H,10,12-13H2,1-3H3/t18-/m1/s1

InChI Key

RALSOSFWMYBVNR-GOSISDBHSA-N

MDL Number (MFCD)

MFCD31959489

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.880

Distribution Coefficient, logD

3.880

Water Solubility, LogSw

-3.91

Polar Surface Area

64.750

Acid Dissociation Constant (pKa)

26.10

Base Dissociation Constant (pKb)

4.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.36

S049-0955 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S049-0955 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S049-0955?
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What is the minimum amount of S049-0955 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S049-0955
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S049-0955
  • 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 S049-0955 available by request