S831-0748 Screening compound: 5-{3-[(cyclopropylmethoxy)methyl]-4-(pyridin-2-yl)pyrrolidine-1-carbonyl}pyridin-2-ol

S831-0748 Screening compound: 5-{3-[(cyclopropylmethoxy)methyl]-4-(pyridin-2-yl)pyrrolidine-1-carbonyl}pyridin-2-ol
S831-0748 Screening compound: 5-{3-[(cyclopropylmethoxy)methyl]-4-(pyridin-2-yl)pyrrolidine-1-carbonyl}pyridin-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound S831-0748
5-{3-[(cyclopropylmethoxy)methyl]-4-(pyridin-2-yl)pyrrolidine-1-carbonyl}pyridin-2-ol

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

S831-0748

Molecular Formula

C20H23N3O3 (C20 H23 N3 O3)

Compound Name

5-{3-[(cyclopropylmethoxy)methyl]-4-(pyridin-2-yl)pyrrolidine-1-carbonyl}pyridin-2-ol

IUPAC name

5-[(3S4S)-3-[(cyclopropylmethoxy)methyl]-4-(pyridin-2-yl)pyrrolidine-1-carbonyl]pyridin-2-ol

SMILES

Oc(cc1)ncc1C(N(C[C@@H]1COCC2CC2)C[C@@H]1c1ncccc1)=O

InChI

InChI=1S/C20H23N3O3/c24-19-7-6-15(9-22-19)20(25)23-10-16(13-26-12-14-4-5-14)17(11-23)18-3-1-2-8-21-18/h1-3,6-9,14,16-17H,4-5,10-13H2,(H,22,24)/t16-,17+/m0/s1

InChI Key

GLQBGNXUVQRPPH-DLBZAZTESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.213

Distribution Coefficient, logD

0.989

Water Solubility, LogSw

-1.90

Polar Surface Area

60.978

Acid Dissociation Constant (pKa)

7.57

Base Dissociation Constant (pKb)

3.16

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

45.00

S831-0748 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

CNS MPO Library (28609 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Peptidomimetics of Beta-Turn Motifs Library (2153 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
  • Mimetics
Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S831-0748 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S831-0748?
Check Price and Availability of S831-0748, 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 S831-0748 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S831-0748
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S831-0748
  • 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 S831-0748 available by request