S721-1587 Screening compound: 1-methanesulfonyl-N-[2-(2-methoxyphenoxy)ethyl]-4-(pyridin-3-yloxy)pyrrolidine-2-carboxamide

S721-1587 Screening compound: 1-methanesulfonyl-N-[2-(2-methoxyphenoxy)ethyl]-4-(pyridin-3-yloxy)pyrrolidine-2-carboxamide
S721-1587 Screening compound: 1-methanesulfonyl-N-[2-(2-methoxyphenoxy)ethyl]-4-(pyridin-3-yloxy)pyrrolidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S721-1587
1-methanesulfonyl-N-[2-(2-methoxyphenoxy)ethyl]-4-(pyridin-3-yloxy)pyrrolidine-2-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

S721-1587

Molecular Formula

C20H25N3O6S (C20 H25 N3 O6 S)

Compound Name

1-methanesulfonyl-N-[2-(2-methoxyphenoxy)ethyl]-4-(pyridin-3-yloxy)pyrrolidine-2-carboxamide

IUPAC name

(2S4S)-1-methanesulfonyl-N-[2-(2-methoxyphenoxy)ethyl]-4-(pyridin-3-yloxy)pyrrolidine-2-carboxamide

SMILES

COc(cccc1)c1OCCNC([C@H](C[C@@H](C1)Oc2cnccc2)N1S(C)(=O)=O)=O

InChI

InChI=1S/C20H25N3O6S/c1-27-18-7-3-4-8-19(18)28-11-10-22-20(24)17-12-16(14-23(17)30(2,25)26)29-15-6-5-9-21-13-15/h3-9,13,16-17H,10-12,14H2,1-2H3,(H,22,24)/t16-,17+/m1/s1

InChI Key

VPGKGGYTMOJQJJ-SJORKVTESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.5

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.217

Distribution Coefficient, logD

1.212

Water Solubility, LogSw

-1.72

Polar Surface Area

87.653

Acid Dissociation Constant (pKa)

14.52

Base Dissociation Constant (pKb)

5.40

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.00

S721-1587 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S721-1587 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S721-1587?
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What is the minimum amount of S721-1587 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S721-1587
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S721-1587
  • 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 S721-1587 available by request