S831-0147 Screening compound: (2,5-dimethyl-3-furyl)[(3S,4S)-3-(hydroxymethyl)-4-(2-pyridyl)tetrahydro-1H-pyrrol-1-yl]methanone

S831-0147 Screening compound: (2,5-dimethyl-3-furyl)[(3S,4S)-3-(hydroxymethyl)-4-(2-pyridyl)tetrahydro-1H-pyrrol-1-yl]methanone
S831-0147 Screening compound: (2,5-dimethyl-3-furyl)[(3S,4S)-3-(hydroxymethyl)-4-(2-pyridyl)tetrahydro-1H-pyrrol-1-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S831-0147
(2,5-dimethyl-3-furyl)[(3S,4S)-3-(hydroxymethyl)-4-(2-pyridyl)tetrahydro-1H-pyrrol-1-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

S831-0147

Molecular Formula

C17H20N2O3 (C17 H20 N2 O3)

Compound Name

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

IUPAC name

n/a

SMILES

Cc1cc(C(N(C[C@@H]2CO)C[C@@H]2c2ncccc2)=O)c(C)o1

InChI

InChI=1S/C17H20N2O3/c1-11-7-14(12(2)22-11)17(21)19-8-13(10-20)15(9-19)16-5-3-4-6-18-16/h3-7,13,15,20H,8-10H2,1-2H3/t13-,15+/m0/s1

InChI Key

LBRPITWOORORNE-DZGCQCFKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.201

Distribution Coefficient, logD

1.201

Water Solubility, LogSw

-2.37

Polar Surface Area

50.758

Acid Dissociation Constant (pKa)

16.43

Base Dissociation Constant (pKb)

3.23

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.20

S831-0147 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 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

References: we are preparing a list of scientific research reports with S831-0147 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S831-0147?
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What is the minimum amount of S831-0147 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S831-0147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S831-0147
  • 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 S831-0147 available by request