S824-2172 Screening compound: [(3S,4R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(4-pyridyl)tetrahydro-1H-pyrrol-3-yl]methyl methyl ether

S824-2172 Screening compound: [(3S,4R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(4-pyridyl)tetrahydro-1H-pyrrol-3-yl]methyl methyl ether
S824-2172 Screening compound: [(3S,4R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(4-pyridyl)tetrahydro-1H-pyrrol-3-yl]methyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound S824-2172
[(3S,4R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(4-pyridyl)tetrahydro-1H-pyrrol-3-yl]methyl methyl ether

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

S824-2172

Molecular Formula

C17H24N4O (C17 H24 N4 O)

Compound Name

[(3S,4R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(4-pyridyl)tetrahydro-1H-pyrrol-3-yl]methyl methyl ether

IUPAC name

4-[(3R4S)-1-[(35-dimethyl-1H-pyrazol-4-yl)methyl]-4-(methoxymethyl)pyrrolidin-3-yl]pyridine

SMILES

Cc1c(CN(C[C@@H]2COC)C[C@@H]2c2ccncc2)c(C)n[nH]1

InChI

InChI=1S/C17H24N4O/c1-12-16(13(2)20-19-12)9-21-8-15(11-22-3)17(10-21)14-4-6-18-7-5-14/h4-7,15,17H,8-11H2,1-3H3,(H,19,20)/t15-,17-/m1/s1

InChI Key

BHQRPXPVVNRUNA-NVXWUHKLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.620

Distribution Coefficient, logD

-2.586

Water Solubility, LogSw

-2.02

Polar Surface Area

45.699

Acid Dissociation Constant (pKa)

14.93

Base Dissociation Constant (pKb)

11.61

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.94

S824-2172 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S824-2172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S824-2172?
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What is the minimum amount of S824-2172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S824-2172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S824-2172
  • 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 S824-2172 available by request