S721-0767 Screening compound: (6-methoxy-3-pyridyl)[(2S,4S)-4-(3-pyridyloxy)-2-(1-pyrrolidinylcarbonyl)tetrahydro-1H-pyrrol-1-yl]methanone

S721-0767 Screening compound: (6-methoxy-3-pyridyl)[(2S,4S)-4-(3-pyridyloxy)-2-(1-pyrrolidinylcarbonyl)tetrahydro-1H-pyrrol-1-yl]methanone
S721-0767 Screening compound: (6-methoxy-3-pyridyl)[(2S,4S)-4-(3-pyridyloxy)-2-(1-pyrrolidinylcarbonyl)tetrahydro-1H-pyrrol-1-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S721-0767
(6-methoxy-3-pyridyl)[(2S,4S)-4-(3-pyridyloxy)-2-(1-pyrrolidinylcarbonyl)tetrahydro-1H-pyrrol-1-yl]methanone

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

S721-0767

Molecular Formula

C21H24N4O4 (C21 H24 N4 O4)

Compound Name

(6-methoxy-3-pyridyl)[(2S,4S)-4-(3-pyridyloxy)-2-(1-pyrrolidinylcarbonyl)tetrahydro-1H-pyrrol-1-yl]methanone

IUPAC name

2-methoxy-5-[(2S4S)-4-(pyridin-3-yloxy)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]pyridine

SMILES

COc(cc1)ncc1C(N(C[C@H](C1)Oc2cnccc2)[C@@H]1C(N1CCCC1)=O)=O

InChI

InChI=1S/C21H24N4O4/c1-28-19-7-6-15(12-23-19)20(26)25-14-17(29-16-5-4-8-22-13-16)11-18(25)21(27)24-9-2-3-10-24/h4-8,12-13,17-18H,2-3,9-11,14H2,1H3/t17-,18+/m1/s1

InChI Key

DPNGSCCVRPZUOS-MSOLQXFVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.534

Distribution Coefficient, logD

1.522

Water Solubility, LogSw

-1.01

Polar Surface Area

66.256

Acid Dissociation Constant (pKa)

18.30

Base Dissociation Constant (pKb)

5.85

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

42.86

S721-0767 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Natural-Product-Based Library (3730 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S721-0767 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S721-0767?
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What is the minimum amount of S721-0767 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S721-0767
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S721-0767
  • 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 S721-0767 available by request