S596-0007 Screening compound: 1-[1-(2,6-dimethoxypyridine-3-carbonyl)piperidin-4-yl]-4-hydroxy-N-[(3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide

S596-0007 Screening compound: 1-[1-(2,6-dimethoxypyridine-3-carbonyl)piperidin-4-yl]-4-hydroxy-N-[(3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
S596-0007 Screening compound: 1-[1-(2,6-dimethoxypyridine-3-carbonyl)piperidin-4-yl]-4-hydroxy-N-[(3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S596-0007
1-[1-(2,6-dimethoxypyridine-3-carbonyl)piperidin-4-yl]-4-hydroxy-N-[(3-methoxyphenyl)methyl]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

S596-0007

Molecular Formula

C26H34N4O6 (C26 H34 N4 O6)

Compound Name

1-[1-(2,6-dimethoxypyridine-3-carbonyl)piperidin-4-yl]-4-hydroxy-N-[(3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide

IUPAC name

(2S4R)-1-[1-(26-dimethoxypyridine-3-carbonyl)piperidin-4-yl]-4-hydroxy-N-[(3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide

SMILES

COc1cccc(CNC([C@H](C[C@H](C2)O)N2C(CC2)CCN2C(c(ccc(OC)n2)c2OC)=O)=O)c1

InChI

InChI=1S/C26H34N4O6/c1-34-20-6-4-5-17(13-20)15-27-24(32)22-14-19(31)16-30(22)18-9-11-29(12-10-18)26(33)21-7-8-23(35-2)28-25(21)36-3/h4-8,13,18-19,22,31H,9-12,14-16H2,1-3H3,(H,27,32)/t19-,22-/m0/s1

InChI Key

RPVBBPSDFKMWRM-UGKGYDQZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.358

Distribution Coefficient, logD

2.254

Water Solubility, LogSw

-2.89

Polar Surface Area

92.014

Acid Dissociation Constant (pKa)

13.12

Base Dissociation Constant (pKb)

6.83

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

S596-0007 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

Natural-Product-Based Library (3730 compounds)

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Pool
  • Mimetics
  • Mimetics
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S596-0007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S596-0007?
Check Price and Availability of S596-0007, 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 S596-0007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S596-0007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S596-0007
  • 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 S596-0007 available by request