S578-0876 Screening compound: (2R4S)-N2-(2-METHOXYETHYL)-N1-(4-METHOXYPHENYL)-4-(PYRIDIN-3-YLOXY)PYRROLIDINE-12-DICARBOXAMIDE

S578-0876 Screening compound: (2R4S)-N2-(2-METHOXYETHYL)-N1-(4-METHOXYPHENYL)-4-(PYRIDIN-3-YLOXY)PYRROLIDINE-12-DICARBOXAMIDE
S578-0876 Screening compound: (2R4S)-N2-(2-METHOXYETHYL)-N1-(4-METHOXYPHENYL)-4-(PYRIDIN-3-YLOXY)PYRROLIDINE-12-DICARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound S578-0876
(2R4S)-N2-(2-METHOXYETHYL)-N1-(4-METHOXYPHENYL)-4-(PYRIDIN-3-YLOXY)PYRROLIDINE-12-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

S578-0876

Molecular Formula

C21H26N4O5 (C21 H26 N4 O5)

Compound Name

(2R4S)-N2-(2-METHOXYETHYL)-N1-(4-METHOXYPHENYL)-4-(PYRIDIN-3-YLOXY)PYRROLIDINE-12-DICARBOXAMIDE

IUPAC name

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

SMILES

COCCNC([C@@H](C[C@@H](C1)Oc2cnccc2)N1C(Nc(cc1)ccc1OC)=O)=O

InChI

InChI=1S/C21H26N4O5/c1-28-11-10-23-20(26)19-12-18(30-17-4-3-9-22-13-17)14-25(19)21(27)24-15-5-7-16(29-2)8-6-15/h3-9,13,18-19H,10-12,14H2,1-2H3,(H,23,26)(H,24,27)/t18-,19-/m1/s1

InChI Key

YPPUXOWGKSWOOH-RTBURBONSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.427

Distribution Coefficient, logD

1.415

Water Solubility, LogSw

-1.19

Polar Surface Area

81.893

Acid Dissociation Constant (pKa)

14.16

Base Dissociation Constant (pKb)

5.85

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

38.10

S578-0876 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 S578-0876 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S578-0876?
Check Price and Availability of S578-0876, 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 S578-0876 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S578-0876
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S578-0876
  • 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 S578-0876 available by request