S578-0899 Screening compound: N2-(2-methoxyethyl)-N1-(2-phenylethyl)-4-(pyridin-3-yloxy)pyrrolidine-1,2-dicarboxamide

S578-0899 Screening compound: N2-(2-methoxyethyl)-N1-(2-phenylethyl)-4-(pyridin-3-yloxy)pyrrolidine-1,2-dicarboxamide
S578-0899 Screening compound: N2-(2-methoxyethyl)-N1-(2-phenylethyl)-4-(pyridin-3-yloxy)pyrrolidine-1,2-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S578-0899
N2-(2-methoxyethyl)-N1-(2-phenylethyl)-4-(pyridin-3-yloxy)pyrrolidine-1,2-dicarboxamide

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

S578-0899

Molecular Formula

C22H28N4O4 (C22 H28 N4 O4)

Compound Name

N2-(2-methoxyethyl)-N1-(2-phenylethyl)-4-(pyridin-3-yloxy)pyrrolidine-1,2-dicarboxamide

IUPAC name

(2R4S)-N2-(2-methoxyethyl)-N1-(2-phenylethyl)-4-(pyridin-3-yloxy)pyrrolidine-12-dicarboxamide

SMILES

COCCNC([C@@H](C[C@@H](C1)Oc2cnccc2)N1C(NCCc1ccccc1)=O)=O

InChI

InChI=1S/C22H28N4O4/c1-29-13-12-24-21(27)20-14-19(30-18-8-5-10-23-15-18)16-26(20)22(28)25-11-9-17-6-3-2-4-7-17/h2-8,10,15,19-20H,9,11-14,16H2,1H3,(H,24,27)(H,25,28)/t19-,20-/m1/s1

InChI Key

CUEQGWNLOHRQFS-WOJBJXKFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.624

Distribution Coefficient, logD

1.612

Water Solubility, LogSw

-1.30

Polar Surface Area

75.513

Acid Dissociation Constant (pKa)

14.28

Base Dissociation Constant (pKb)

5.85

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.91

S578-0899 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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)

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 S578-0899 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S578-0899?
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What is the minimum amount of S578-0899 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S578-0899
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S578-0899
  • 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 S578-0899 available by request