S049-0654 Screening compound: 3-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide

S049-0654 Screening compound: 3-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
S049-0654 Screening compound: 3-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S049-0654
3-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide

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

S049-0654

Molecular Formula

C23H26N4O4 (C23 H26 N4 O4)

Compound Name

3-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide

IUPAC name

3-[4-(5-ethyl-124-oxadiazol-3-yl)phenoxy]-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide

SMILES

CCc1nc(-c(cc2)ccc2OC(CC2)CN2C(NCc(cc2)ccc2OC)=O)no1

InChI

InChI=1S/C23H26N4O4/c1-3-21-25-22(26-31-21)17-6-10-19(11-7-17)30-20-12-13-27(15-20)23(28)24-14-16-4-8-18(29-2)9-5-16/h4-11,20H,3,12-15H2,1-2H3,(H,24,28)/t20-/m1/s1

InChI Key

TXMGSIQFZPCWSX-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD31959826

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.899

Distribution Coefficient, logD

3.899

Water Solubility, LogSw

-3.98

Polar Surface Area

72.478

Acid Dissociation Constant (pKa)

15.52

Base Dissociation Constant (pKb)

-1.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.78

S049-0654 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 S049-0654 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S049-0654?
Check Price and Availability of S049-0654, 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 S049-0654 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S049-0654
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S049-0654
  • 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 S049-0654 available by request