S049-0117 Screening compound: 1-methyl-3-{3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pyrrolidine-1-carbonyl}-1H-indazole

S049-0117 Screening compound: 1-methyl-3-{3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pyrrolidine-1-carbonyl}-1H-indazole
S049-0117 Screening compound: 1-methyl-3-{3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pyrrolidine-1-carbonyl}-1H-indazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S049-0117
1-methyl-3-{3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pyrrolidine-1-carbonyl}-1H-indazole

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

S049-0117

Molecular Formula

C22H21N5O3 (C22 H21 N5 O3)

Compound Name

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

IUPAC name

1-methyl-3-{3-[4-(5-methyl-124-oxadiazol-3-yl)phenoxy]pyrrolidine-1-carbonyl}-1H-indazole

SMILES

Cc1nc(-c(cc2)ccc2OC(CC2)CN2C(c2nn(C)c3c2cccc3)=O)no1

InChI

InChI=1S/C22H21N5O3/c1-14-23-21(25-30-14)15-7-9-16(10-8-15)29-17-11-12-27(13-17)22(28)20-18-5-3-4-6-19(18)26(2)24-20/h3-10,17H,11-13H2,1-2H3/t17-/m1/s1

InChI Key

AUUIKYUVLZMIOV-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD29008185

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.980

Distribution Coefficient, logD

2.980

Water Solubility, LogSw

-2.99

Polar Surface Area

68.889

Acid Dissociation Constant (pKa)

27.27

Base Dissociation Constant (pKb)

-2.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

S049-0117 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Antifungal Library (16415 compounds)

Antiviral Library (67538 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

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)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with S049-0117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S049-0117?
Check Price and Availability of S049-0117, 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 S049-0117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S049-0117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S049-0117
  • 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 S049-0117 available by request