S824-2174 Screening compound: {4-[(dimethylamino)methyl]-5-methyl-3-isoxazolyl}[(3S,4R)-3-(methoxymethyl)-4-(4-pyridyl)tetrahydro-1H-pyrrol-1-yl]methanone

S824-2174 Screening compound: {4-[(dimethylamino)methyl]-5-methyl-3-isoxazolyl}[(3S,4R)-3-(methoxymethyl)-4-(4-pyridyl)tetrahydro-1H-pyrrol-1-yl]methanone
S824-2174 Screening compound: {4-[(dimethylamino)methyl]-5-methyl-3-isoxazolyl}[(3S,4R)-3-(methoxymethyl)-4-(4-pyridyl)tetrahydro-1H-pyrrol-1-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S824-2174
{4-[(dimethylamino)methyl]-5-methyl-3-isoxazolyl}[(3S,4R)-3-(methoxymethyl)-4-(4-pyridyl)tetrahydro-1H-pyrrol-1-yl]methanone

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

S824-2174

Molecular Formula

C19H26N4O3 (C19 H26 N4 O3)

Compound Name

{4-[(dimethylamino)methyl]-5-methyl-3-isoxazolyl}[(3S,4R)-3-(methoxymethyl)-4-(4-pyridyl)tetrahydro-1H-pyrrol-1-yl]methanone

IUPAC name

n/a

SMILES

Cc1c(CN(C)C)c(C(N(C[C@@H]2COC)C[C@@H]2c2ccncc2)=O)no1

InChI

InChI=1S/C19H26N4O3/c1-13-16(10-22(2)3)18(21-26-13)19(24)23-9-15(12-25-4)17(11-23)14-5-7-20-8-6-14/h5-8,15,17H,9-12H2,1-4H3/t15-,17-/m0/s1

InChI Key

UIICQVOLGHKZCU-RDJZCZTQSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.797

Distribution Coefficient, logD

-4.487

Water Solubility, LogSw

-1.63

Polar Surface Area

60.819

Acid Dissociation Constant (pKa)

23.72

Base Dissociation Constant (pKb)

12.68

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.60

S824-2174 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S824-2174 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S824-2174?
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What is the minimum amount of S824-2174 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S824-2174
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S824-2174
  • 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 S824-2174 available by request