S831-0764 Screening compound: 3-{3-[(cyclopropylmethoxy)methyl]-4-(pyridin-2-yl)pyrrolidine-1-carbonyl}-2-methylpyridine

S831-0764 Screening compound: 3-{3-[(cyclopropylmethoxy)methyl]-4-(pyridin-2-yl)pyrrolidine-1-carbonyl}-2-methylpyridine
S831-0764 Screening compound: 3-{3-[(cyclopropylmethoxy)methyl]-4-(pyridin-2-yl)pyrrolidine-1-carbonyl}-2-methylpyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S831-0764
3-{3-[(cyclopropylmethoxy)methyl]-4-(pyridin-2-yl)pyrrolidine-1-carbonyl}-2-methylpyridine

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

S831-0764

Molecular Formula

C21H25N3O2 (C21 H25 N3 O2)

Compound Name

3-{3-[(cyclopropylmethoxy)methyl]-4-(pyridin-2-yl)pyrrolidine-1-carbonyl}-2-methylpyridine

IUPAC name

3-[(3S4S)-3-[(cyclopropylmethoxy)methyl]-4-(pyridin-2-yl)pyrrolidine-1-carbonyl]-2-methylpyridine

SMILES

Cc(nccc1)c1C(N(C[C@@H]1COCC2CC2)C[C@@H]1c1ncccc1)=O

InChI

InChI=1S/C21H25N3O2/c1-15-18(5-4-10-22-15)21(25)24-11-17(14-26-13-16-7-8-16)19(12-24)20-6-2-3-9-23-20/h2-6,9-10,16-17,19H,7-8,11-14H2,1H3/t17-,19+/m0/s1

InChI Key

UWZNHJNTPCOHML-PKOBYXMFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.974

Distribution Coefficient, logD

1.974

Water Solubility, LogSw

-2.79

Polar Surface Area

44.206

Acid Dissociation Constant (pKa)

23.95

Base Dissociation Constant (pKb)

4.18

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.62

S831-0764 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Peptidomimetics of Beta-Turn Motifs Library (2153 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Epigenetic
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S831-0764 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S831-0764?
Check Price and Availability of S831-0764, 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 S831-0764 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S831-0764
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S831-0764
  • 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 S831-0764 available by request