E848-2109 Screening compound: N-[(3-methoxyphenyl)methyl]-4-[5-(pyrrolidine-1-sulfonyl)-1H-indol-1-yl]butanamide

E848-2109 Screening compound: N-[(3-methoxyphenyl)methyl]-4-[5-(pyrrolidine-1-sulfonyl)-1H-indol-1-yl]butanamide
E848-2109 Screening compound: N-[(3-methoxyphenyl)methyl]-4-[5-(pyrrolidine-1-sulfonyl)-1H-indol-1-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E848-2109
N-[(3-methoxyphenyl)methyl]-4-[5-(pyrrolidine-1-sulfonyl)-1H-indol-1-yl]butanamide

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

E848-2109

Molecular Formula

C24H29N3O4S (C24 H29 N3 O4 S)

Compound Name

N-[(3-methoxyphenyl)methyl]-4-[5-(pyrrolidine-1-sulfonyl)-1H-indol-1-yl]butanamide

IUPAC name

N-[(3-methoxyphenyl)methyl]-4-[5-(pyrrolidine-1-sulfonyl)-1H-indol-1-yl]butanamide

SMILES

COc1cccc(CNC(CCCn(cc2)c(cc3)c2cc3S(N2CCCC2)(=O)=O)=O)c1

InChI

InChI=1S/C24H29N3O4S/c1-31-21-7-4-6-19(16-21)18-25-24(28)8-5-12-26-15-11-20-17-22(9-10-23(20)26)32(29,30)27-13-2-3-14-27/h4,6-7,9-11,15-17H,2-3,5,8,12-14,18H2,1H3,(H,25,28)

InChI Key

HJLWXVZWMVICPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14921488

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.873

Distribution Coefficient, logD

2.873

Water Solubility, LogSw

-3.52

Polar Surface Area

66.148

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

-0.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

E848-2109 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

Dark Chemical Matter Library (18430 compounds)

Lipid Metabolism Library (9174 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with E848-2109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E848-2109?
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What is the minimum amount of E848-2109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E848-2109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E848-2109
  • 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 E848-2109 available by request