E848-2258 Screening compound: N-[(2,5-dimethoxyphenyl)methyl]-4-[5-(pyrrolidine-1-sulfonyl)-1H-indol-1-yl]butanamide

E848-2258 Screening compound: N-[(2,5-dimethoxyphenyl)methyl]-4-[5-(pyrrolidine-1-sulfonyl)-1H-indol-1-yl]butanamide
E848-2258 Screening compound: N-[(2,5-dimethoxyphenyl)methyl]-4-[5-(pyrrolidine-1-sulfonyl)-1H-indol-1-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E848-2258
N-[(2,5-dimethoxyphenyl)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

E848-2258

Molecular Formula

C25H31N3O5S (C25 H31 N3 O5 S)

Compound Name

N-[(2,5-dimethoxyphenyl)methyl]-4-[5-(pyrrolidine-1-sulfonyl)-1H-indol-1-yl]butanamide

IUPAC name

N-[(25-dimethoxyphenyl)methyl]-4-[5-(pyrrolidine-1-sulfonyl)-1H-indol-1-yl]butanamide

SMILES

COc(cc1)cc(CNC(CCCn(cc2)c(cc3)c2cc3S(N2CCCC2)(=O)=O)=O)c1OC

InChI

InChI=1S/C25H31N3O5S/c1-32-21-7-10-24(33-2)20(16-21)18-26-25(29)6-5-12-27-15-11-19-17-22(8-9-23(19)27)34(30,31)28-13-3-4-14-28/h7-11,15-17H,3-6,12-14,18H2,1-2H3,(H,26,29)

InChI Key

FPNNCRWIMYSBBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14921497

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.975

Distribution Coefficient, logD

2.975

Water Solubility, LogSw

-3.55

Polar Surface Area

73.779

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

-0.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

E848-2258 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

Human Receptors Annotated Library (5376 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with E848-2258 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E848-2258?
Check Price and Availability of E848-2258, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E848-2258 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E848-2258
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E848-2258
  • 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 E848-2258 available by request