S823-6598 Screening compound: N-[4-(hydroxymethyl)-1-[(3-phenyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]cyclopropanecarboxamide

S823-6598 Screening compound: N-[4-(hydroxymethyl)-1-[(3-phenyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]cyclopropanecarboxamide
S823-6598 Screening compound: N-[4-(hydroxymethyl)-1-[(3-phenyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S823-6598
N-[4-(hydroxymethyl)-1-[(3-phenyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]cyclopropanecarboxamide

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

S823-6598

Molecular Formula

C19H24N4O2 (C19 H24 N4 O2)

Compound Name

N-[4-(hydroxymethyl)-1-[(3-phenyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]cyclopropanecarboxamide

IUPAC name

N-[(3S4R)-4-(hydroxymethyl)-1-[(3-phenyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]cyclopropanecarboxamide

SMILES

OC[C@@H](CN(Cc1c[nH]nc1-c1ccccc1)C1)[C@H]1NC(C1CC1)=O

InChI

InChI=1S/C19H24N4O2/c24-12-16-10-23(11-17(16)21-19(25)14-6-7-14)9-15-8-20-22-18(15)13-4-2-1-3-5-13/h1-5,8,14,16-17,24H,6-7,9-12H2,(H,20,22)(H,21,25)/t16-,17+/m1/s1

InChI Key

XRFDAFWJGGSQIV-SJORKVTESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.118

Distribution Coefficient, logD

-2.641

Water Solubility, LogSw

-1.76

Polar Surface Area

70.369

Acid Dissociation Constant (pKa)

11.67

Base Dissociation Constant (pKb)

11.16

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.37

S823-6598 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Immunological Library (6760 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • GPCR
  • Others
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S823-6598 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S823-6598?
Check Price and Availability of S823-6598, 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 S823-6598 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S823-6598
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S823-6598
  • 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 S823-6598 available by request