S831-3567 Screening compound: 2-[4-(methoxymethyl)-1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]pyridine

S831-3567 Screening compound: 2-[4-(methoxymethyl)-1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]pyridine
S831-3567 Screening compound: 2-[4-(methoxymethyl)-1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S831-3567
2-[4-(methoxymethyl)-1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]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

S831-3567

Molecular Formula

C18H26N4O (C18 H26 N4 O)

Compound Name

2-[4-(methoxymethyl)-1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]pyridine

IUPAC name

2-[(3S4S)-4-(methoxymethyl)-1-[(135-trimethyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]pyridine

SMILES

Cc1c(CN(C[C@@H]2COC)C[C@@H]2c2ncccc2)c(C)nn1C

InChI

InChI=1S/C18H26N4O/c1-13-16(14(2)21(3)20-13)10-22-9-15(12-23-4)17(11-22)18-7-5-6-8-19-18/h5-8,15,17H,9-12H2,1-4H3/t15-,17+/m1/s1

InChI Key

KHLLFEVXCJCEDG-WBVHZDCISA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.925

Distribution Coefficient, logD

-3.932

Water Solubility, LogSw

-1.88

Polar Surface Area

36.243

Acid Dissociation Constant (pKa)

23.14

Base Dissociation Constant (pKb)

12.26

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

55.56

S831-3567 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with S831-3567 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S831-3567?
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What is the minimum amount of S831-3567 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S831-3567
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S831-3567
  • 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 S831-3567 available by request