S615-0454 Screening compound: methyl 2-[(3-{3-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-5-yl}pyrrolidine-1-carbonyl)amino]acetate

S615-0454 Screening compound: methyl 2-[(3-{3-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-5-yl}pyrrolidine-1-carbonyl)amino]acetate
S615-0454 Screening compound: methyl 2-[(3-{3-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-5-yl}pyrrolidine-1-carbonyl)amino]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound S615-0454
methyl 2-[(3-{3-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-5-yl}pyrrolidine-1-carbonyl)amino]acetate

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

S615-0454

Molecular Formula

C19H24N4O5 (C19 H24 N4 O5)

Compound Name

methyl 2-[(3-{3-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-5-yl}pyrrolidine-1-carbonyl)amino]acetate

IUPAC name

methyl 2-[(3-{3-[2-(3-methylphenoxy)ethyl]-124-oxadiazol-5-yl}pyrrolidine-1-carbonyl)amino]acetate

SMILES

Cc1cccc(OCCc2noc(C(CC3)CN3C(NCC(OC)=O)=O)n2)c1

InChI

InChI=1S/C19H24N4O5/c1-13-4-3-5-15(10-13)27-9-7-16-21-18(28-22-16)14-6-8-23(12-14)19(25)20-11-17(24)26-2/h3-5,10,14H,6-9,11-12H2,1-2H3,(H,20,25)/t14-/m1/s1

InChI Key

MRXWNWPVXRIURD-CQSZACIVSA-N

MDL Number (MFCD)

MFCD31986197

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.550

Distribution Coefficient, logD

2.550

Water Solubility, LogSw

-2.76

Polar Surface Area

87.994

Acid Dissociation Constant (pKa)

15.21

Base Dissociation Constant (pKb)

-2.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.37

S615-0454 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 S615-0454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S615-0454?
Check Price and Availability of S615-0454, 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 S615-0454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S615-0454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S615-0454
  • 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 S615-0454 available by request