S831-3004 Screening compound: 2-{4-[(cyclopropylmethoxy)methyl]-1-(1-methyl-1H-pyrazole-4-carbonyl)pyrrolidin-3-yl}pyridine

S831-3004 Screening compound: 2-{4-[(cyclopropylmethoxy)methyl]-1-(1-methyl-1H-pyrazole-4-carbonyl)pyrrolidin-3-yl}pyridine
S831-3004 Screening compound: 2-{4-[(cyclopropylmethoxy)methyl]-1-(1-methyl-1H-pyrazole-4-carbonyl)pyrrolidin-3-yl}pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S831-3004
2-{4-[(cyclopropylmethoxy)methyl]-1-(1-methyl-1H-pyrazole-4-carbonyl)pyrrolidin-3-yl}pyridine

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

S831-3004

Molecular Formula

C19H24N4O2 (C19 H24 N4 O2)

Compound Name

2-{4-[(cyclopropylmethoxy)methyl]-1-(1-methyl-1H-pyrazole-4-carbonyl)pyrrolidin-3-yl}pyridine

IUPAC name

2-[(3S4S)-4-[(cyclopropylmethoxy)methyl]-1-(1-methyl-1H-pyrazole-4-carbonyl)pyrrolidin-3-yl]pyridine

SMILES

Cn1ncc(C(N(C[C@@H]2COCC3CC3)C[C@@H]2c2ncccc2)=O)c1

InChI

InChI=1S/C19H24N4O2/c1-22-9-15(8-21-22)19(24)23-10-16(13-25-12-14-5-6-14)17(11-23)18-4-2-3-7-20-18/h2-4,7-9,14,16-17H,5-6,10-13H2,1H3/t16-,17+/m0/s1

InChI Key

RLAAEFZNTOGDKG-DLBZAZTESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.936

Distribution Coefficient, logD

0.936

Water Solubility, LogSw

-1.80

Polar Surface Area

49.391

Acid Dissociation Constant (pKa)

23.95

Base Dissociation Constant (pKb)

3.16

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.63

S831-3004 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S831-3004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S831-3004?
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What is the minimum amount of S831-3004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S831-3004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S831-3004
  • 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 S831-3004 available by request