E848-2100 Screening compound: N-[2-(4-methylphenyl)ethyl]-4-[5-(pyrrolidine-1-sulfonyl)-1H-indol-1-yl]butanamide

E848-2100 Screening compound: N-[2-(4-methylphenyl)ethyl]-4-[5-(pyrrolidine-1-sulfonyl)-1H-indol-1-yl]butanamide
E848-2100 Screening compound: N-[2-(4-methylphenyl)ethyl]-4-[5-(pyrrolidine-1-sulfonyl)-1H-indol-1-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E848-2100
N-[2-(4-methylphenyl)ethyl]-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

E848-2100

Molecular Formula

C25H31N3O3S (C25 H31 N3 O3 S)

Compound Name

N-[2-(4-methylphenyl)ethyl]-4-[5-(pyrrolidine-1-sulfonyl)-1H-indol-1-yl]butanamide

IUPAC name

N-[2-(4-methylphenyl)ethyl]-4-[5-(pyrrolidine-1-sulfonyl)-1H-indol-1-yl]butanamide

SMILES

Cc1ccc(CCNC(CCCn(cc2)c(cc3)c2cc3S(N2CCCC2)(=O)=O)=O)cc1

InChI

InChI=1S/C25H31N3O3S/c1-20-6-8-21(9-7-20)12-14-26-25(29)5-4-15-27-18-13-22-19-23(10-11-24(22)27)32(30,31)28-16-2-3-17-28/h6-11,13,18-19H,2-5,12,14-17H2,1H3,(H,26,29)

InChI Key

FNVDKTRDHVJNFC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14921487

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.974

Distribution Coefficient, logD

2.974

Water Solubility, LogSw

-3.46

Polar Surface Area

58.446

Acid Dissociation Constant (pKa)

13.43

Base Dissociation Constant (pKb)

0.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

E848-2100 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Targeted Diversity Library (40567 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E848-2100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E848-2100?
Check Price and Availability of E848-2100, 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 E848-2100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E848-2100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E848-2100
  • 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 E848-2100 available by request