S823-6614 Screening compound: N~1~-[(3S,4R)-1-[(1-ethyl-1H-indol-3-yl)methyl]-4-(hydroxymethyl)tetrahydro-1H-pyrrol-3-yl]-1-cyclopropanecarboxamide

S823-6614 Screening compound: N~1~-[(3S,4R)-1-[(1-ethyl-1H-indol-3-yl)methyl]-4-(hydroxymethyl)tetrahydro-1H-pyrrol-3-yl]-1-cyclopropanecarboxamide
S823-6614 Screening compound: N~1~-[(3S,4R)-1-[(1-ethyl-1H-indol-3-yl)methyl]-4-(hydroxymethyl)tetrahydro-1H-pyrrol-3-yl]-1-cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S823-6614
N~1~-[(3S,4R)-1-[(1-ethyl-1H-indol-3-yl)methyl]-4-(hydroxymethyl)tetrahydro-1H-pyrrol-3-yl]-1-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

S823-6614

Molecular Formula

C20H27N3O2 (C20 H27 N3 O2)

Compound Name

N~1~-[(3S,4R)-1-[(1-ethyl-1H-indol-3-yl)methyl]-4-(hydroxymethyl)tetrahydro-1H-pyrrol-3-yl]-1-cyclopropanecarboxamide

IUPAC name

n/a

SMILES

CCn1c(cccc2)c2c(CN(C[C@@H]2CO)C[C@@H]2NC(C2CC2)=O)c1

InChI

InChI=1S/C20H27N3O2/c1-2-23-11-15(17-5-3-4-6-19(17)23)9-22-10-16(13-24)18(12-22)21-20(25)14-7-8-14/h3-6,11,14,16,18,24H,2,7-10,12-13H2,1H3,(H,21,25)/t16-,18+/m1/s1

InChI Key

JECSMZNQVQRBQJ-AEFFLSMTSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.627

Distribution Coefficient, logD

-3.740

Water Solubility, LogSw

-2.04

Polar Surface Area

47.907

Acid Dissociation Constant (pKa)

15.68

Base Dissociation Constant (pKb)

12.77

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

55.00

S823-6614 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 S823-6614 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S823-6614?
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What is the minimum amount of S823-6614 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S823-6614
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S823-6614
  • 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 S823-6614 available by request