S824-2805 Screening compound: 1-[(3S,4R)-3-[(cyclopropylmethoxy)methyl]-4-(4-pyridyl)tetrahydro-1H-pyrrol-1-yl]-2-morpholino-1-ethanone

S824-2805 Screening compound: 1-[(3S,4R)-3-[(cyclopropylmethoxy)methyl]-4-(4-pyridyl)tetrahydro-1H-pyrrol-1-yl]-2-morpholino-1-ethanone
S824-2805 Screening compound: 1-[(3S,4R)-3-[(cyclopropylmethoxy)methyl]-4-(4-pyridyl)tetrahydro-1H-pyrrol-1-yl]-2-morpholino-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S824-2805
1-[(3S,4R)-3-[(cyclopropylmethoxy)methyl]-4-(4-pyridyl)tetrahydro-1H-pyrrol-1-yl]-2-morpholino-1-ethanone

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

S824-2805

Molecular Formula

C20H29N3O3 (C20 H29 N3 O3)

Compound Name

1-[(3S,4R)-3-[(cyclopropylmethoxy)methyl]-4-(4-pyridyl)tetrahydro-1H-pyrrol-1-yl]-2-morpholino-1-ethanone

IUPAC name

n/a

SMILES

O=C(CN1CCOCC1)N(C[C@@H]1COCC2CC2)C[C@@H]1c1ccncc1

InChI

InChI=1S/C20H29N3O3/c24-20(13-22-7-9-25-10-8-22)23-11-18(15-26-14-16-1-2-16)19(12-23)17-3-5-21-6-4-17/h3-6,16,18-19H,1-2,7-15H2/t18-,19-/m0/s1

InChI Key

YKUGSIPMPFDYTL-OALUTQOASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.809

Distribution Coefficient, logD

0.702

Water Solubility, LogSw

-1.52

Polar Surface Area

46.347

Acid Dissociation Constant (pKa)

24.11

Base Dissociation Constant (pKb)

6.85

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

70.00

S824-2805 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S824-2805 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S824-2805?
Check Price and Availability of S824-2805, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S824-2805 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S824-2805
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S824-2805
  • 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 S824-2805 available by request