S049-0465 Screening compound: 3-{3-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenoxy]pyrrolidine-1-carbonyl}-1-methyl-1H-indazole

S049-0465 Screening compound: 3-{3-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenoxy]pyrrolidine-1-carbonyl}-1-methyl-1H-indazole
S049-0465 Screening compound: 3-{3-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenoxy]pyrrolidine-1-carbonyl}-1-methyl-1H-indazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S049-0465
3-{3-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenoxy]pyrrolidine-1-carbonyl}-1-methyl-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

S049-0465

Molecular Formula

C24H23N5O3 (C24 H23 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

Cn1nc(C(N(CC2)CC2Oc(cc2)ccc2-c2noc(C3CC3)n2)=O)c2c1cccc2

InChI

InChI=1S/C24H23N5O3/c1-28-20-5-3-2-4-19(20)21(26-28)24(30)29-13-12-18(14-29)31-17-10-8-15(9-11-17)22-25-23(32-27-22)16-6-7-16/h2-5,8-11,16,18H,6-7,12-14H2,1H3/t18-/m1/s1

InChI Key

RVJAPXLNYSMPGQ-GOSISDBHSA-N

MDL Number (MFCD)

MFCD29009806

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.093

Distribution Coefficient, logD

4.093

Water Solubility, LogSw

-4.10

Polar Surface Area

69.913

Acid Dissociation Constant (pKa)

24.36

Base Dissociation Constant (pKb)

-2.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

S049-0465 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

GPCR Targeted Library (31838 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:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
Targets:
  • GPCR
  • Phosphatases
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S049-0465 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S049-0465?
Check Price and Availability of S049-0465, 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 S049-0465 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S049-0465
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S049-0465
  • 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 S049-0465 available by request