E848-0211 Screening compound: N-{2-[4-(methylsulfanyl)phenyl]ethyl}-2-[5-(pyrrolidine-1-sulfonyl)-1H-indol-1-yl]acetamide

E848-0211 Screening compound: N-{2-[4-(methylsulfanyl)phenyl]ethyl}-2-[5-(pyrrolidine-1-sulfonyl)-1H-indol-1-yl]acetamide
E848-0211 Screening compound: N-{2-[4-(methylsulfanyl)phenyl]ethyl}-2-[5-(pyrrolidine-1-sulfonyl)-1H-indol-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E848-0211
N-{2-[4-(methylsulfanyl)phenyl]ethyl}-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

E848-0211

Molecular Formula

C23H27N3O3S2 (C23 H27 N3 O3 S2)

Compound Name

N-{2-[4-(methylsulfanyl)phenyl]ethyl}-2-[5-(pyrrolidine-1-sulfonyl)-1H-indol-1-yl]acetamide

IUPAC name

N-{2-[4-(methylsulfanyl)phenyl]ethyl}-2-[5-(pyrrolidine-1-sulfonyl)-1H-indol-1-yl]acetamide

SMILES

CSc1ccc(CCNC(Cn(cc2)c(cc3)c2cc3S(N2CCCC2)(=O)=O)=O)cc1

InChI

InChI=1S/C23H27N3O3S2/c1-30-20-6-4-18(5-7-20)10-12-24-23(27)17-25-15-11-19-16-21(8-9-22(19)25)31(28,29)26-13-2-3-14-26/h4-9,11,15-16H,2-3,10,12-14,17H2,1H3,(H,24,27)

InChI Key

OVGKYODIPPDXRI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14921040

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.375

Distribution Coefficient, logD

3.375

Water Solubility, LogSw

-3.74

Polar Surface Area

58.467

Acid Dissociation Constant (pKa)

14.14

Base Dissociation Constant (pKb)

1.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

E848-0211 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

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 E848-0211 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E848-0211?
Check Price and Availability of E848-0211, 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 E848-0211 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E848-0211
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E848-0211
  • 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 E848-0211 available by request