E848-0099 Screening compound: N-[(2-methoxyphenyl)methyl]-2-[5-(pyrrolidine-1-sulfonyl)-1H-indol-1-yl]acetamide

E848-0099 Screening compound: N-[(2-methoxyphenyl)methyl]-2-[5-(pyrrolidine-1-sulfonyl)-1H-indol-1-yl]acetamide
E848-0099 Screening compound: N-[(2-methoxyphenyl)methyl]-2-[5-(pyrrolidine-1-sulfonyl)-1H-indol-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E848-0099
N-[(2-methoxyphenyl)methyl]-2-[5-(pyrrolidine-1-sulfonyl)-1H-indol-1-yl]acetamide

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

E848-0099

Molecular Formula

C22H25N3O4S (C22 H25 N3 O4 S)

Compound Name

N-[(2-methoxyphenyl)methyl]-2-[5-(pyrrolidine-1-sulfonyl)-1H-indol-1-yl]acetamide

IUPAC name

N-[(2-methoxyphenyl)methyl]-2-[5-(pyrrolidine-1-sulfonyl)-1H-indol-1-yl]acetamide

SMILES

COc1c(CNC(Cn(cc2)c(cc3)c2cc3S(N2CCCC2)(=O)=O)=O)cccc1

InChI

InChI=1S/C22H25N3O4S/c1-29-21-7-3-2-6-18(21)15-23-22(26)16-24-13-10-17-14-19(8-9-20(17)24)30(27,28)25-11-4-5-12-25/h2-3,6-10,13-14H,4-5,11-12,15-16H2,1H3,(H,23,26)

InChI Key

YBSMXYQFVXUBAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14921017

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.102

Distribution Coefficient, logD

3.102

Water Solubility, LogSw

-3.47

Polar Surface Area

66.256

Acid Dissociation Constant (pKa)

12.77

Base Dissociation Constant (pKb)

-0.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

E848-0099 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 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

References: we are preparing a list of scientific research reports with E848-0099 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E848-0099?
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What is the minimum amount of E848-0099 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E848-0099
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E848-0099
  • 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 E848-0099 available by request