S831-2462 Screening compound: [(3S,4S)-3-(hydroxymethyl)-4-(2-pyridyl)tetrahydro-1H-pyrrol-1-yl][1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]methanone

S831-2462 Screening compound: [(3S,4S)-3-(hydroxymethyl)-4-(2-pyridyl)tetrahydro-1H-pyrrol-1-yl][1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]methanone
S831-2462 Screening compound: [(3S,4S)-3-(hydroxymethyl)-4-(2-pyridyl)tetrahydro-1H-pyrrol-1-yl][1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S831-2462
[(3S,4S)-3-(hydroxymethyl)-4-(2-pyridyl)tetrahydro-1H-pyrrol-1-yl][1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-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

S831-2462

Molecular Formula

C20H27N3O3 (C20 H27 N3 O3)

Compound Name

[(3S,4S)-3-(hydroxymethyl)-4-(2-pyridyl)tetrahydro-1H-pyrrol-1-yl][1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]methanone

IUPAC name

n/a

SMILES

Cc1cc(C(N(C[C@@H]2CO)C[C@@H]2c2ncccc2)=O)c(C)n1CCOC

InChI

InChI=1S/C20H27N3O3/c1-14-10-17(15(2)23(14)8-9-26-3)20(25)22-11-16(13-24)18(12-22)19-6-4-5-7-21-19/h4-7,10,16,18,24H,8-9,11-13H2,1-3H3/t16-,18+/m0/s1

InChI Key

JJRCFAOMTDIETQ-FUHWJXTLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.830

Distribution Coefficient, logD

0.830

Water Solubility, LogSw

-2.21

Polar Surface Area

53.525

Acid Dissociation Constant (pKa)

16.43

Base Dissociation Constant (pKb)

3.23

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

S831-2462 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 S831-2462 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S831-2462?
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What is the minimum amount of S831-2462 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S831-2462
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S831-2462
  • 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 S831-2462 available by request