S577-0628 Screening compound: N1-benzyl-N2-(2-methoxyethyl)-4-phenoxypyrrolidine-1,2-dicarboxamide

S577-0628 Screening compound: N1-benzyl-N2-(2-methoxyethyl)-4-phenoxypyrrolidine-1,2-dicarboxamide
S577-0628 Screening compound: N1-benzyl-N2-(2-methoxyethyl)-4-phenoxypyrrolidine-1,2-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S577-0628
N1-benzyl-N2-(2-methoxyethyl)-4-phenoxypyrrolidine-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

S577-0628

Molecular Formula

C22H27N3O4 (C22 H27 N3 O4)

Compound Name

N1-benzyl-N2-(2-methoxyethyl)-4-phenoxypyrrolidine-1,2-dicarboxamide

IUPAC name

(2R4S)-N1-benzyl-N2-(2-methoxyethyl)-4-phenoxypyrrolidine-12-dicarboxamide

SMILES

COCCNC([C@@H](C[C@@H](C1)Oc2ccccc2)N1C(NCc1ccccc1)=O)=O

InChI

InChI=1S/C22H27N3O4/c1-28-13-12-23-21(26)20-14-19(29-18-10-6-3-7-11-18)16-25(20)22(27)24-15-17-8-4-2-5-9-17/h2-11,19-20H,12-16H2,1H3,(H,23,26)(H,24,27)/t19-,20-/m1/s1

InChI Key

XONGZCDRYNAISW-WOJBJXKFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.352

Distribution Coefficient, logD

2.352

Water Solubility, LogSw

-2.67

Polar Surface Area

66.154

Acid Dissociation Constant (pKa)

14.28

Base Dissociation Constant (pKb)

-0.52

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.36

S577-0628 in Drug Discovery

Included in Screening Libraries

Natural-Product-Based Library (3730 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Antibacterial Compounds Library (13827 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Mimetics
  • Mimetics
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with S577-0628 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S577-0628?
Check Price and Availability of S577-0628, 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 S577-0628 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S577-0628
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S577-0628
  • 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 S577-0628 available by request