S824-1978 Screening compound: 1-[3-(methoxymethyl)-4-(pyridin-4-yl)pyrrolidin-1-yl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propan-1-one

S824-1978 Screening compound: 1-[3-(methoxymethyl)-4-(pyridin-4-yl)pyrrolidin-1-yl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propan-1-one
S824-1978 Screening compound: 1-[3-(methoxymethyl)-4-(pyridin-4-yl)pyrrolidin-1-yl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S824-1978
1-[3-(methoxymethyl)-4-(pyridin-4-yl)pyrrolidin-1-yl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propan-1-one

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

S824-1978

Molecular Formula

C20H28N4O2 (C20 H28 N4 O2)

Compound Name

1-[3-(methoxymethyl)-4-(pyridin-4-yl)pyrrolidin-1-yl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propan-1-one

IUPAC name

1-[(3S4R)-3-(methoxymethyl)-4-(pyridin-4-yl)pyrrolidin-1-yl]-3-(135-trimethyl-1H-pyrazol-4-yl)propan-1-one

SMILES

Cc1c(CCC(N(C[C@@H]2COC)C[C@@H]2c2ccncc2)=O)c(C)nn1C

InChI

InChI=1S/C20H28N4O2/c1-14-18(15(2)23(3)22-14)5-6-20(25)24-11-17(13-26-4)19(12-24)16-7-9-21-10-8-16/h7-10,17,19H,5-6,11-13H2,1-4H3/t17-,19-/m0/s1

InChI Key

JYVLDDIPAJWTQZ-HKUYNNGSSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.47

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

0.931

Distribution Coefficient, logD

0.824

Water Solubility, LogSw

-1.83

Polar Surface Area

49.012

Acid Dissociation Constant (pKa)

22.19

Base Dissociation Constant (pKb)

6.85

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

55.00

S824-1978 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

GPCR Targeted Library (31838 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetics of Beta-Turn Motifs Library (2153 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S824-1978 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S824-1978?
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What is the minimum amount of S824-1978 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S824-1978
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S824-1978
  • 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 S824-1978 available by request