E848-2199 Screening compound: N-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-[5-(pyrrolidine-1-sulfonyl)-1H-indol-1-yl]butanamide

E848-2199 Screening compound: N-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-[5-(pyrrolidine-1-sulfonyl)-1H-indol-1-yl]butanamide
E848-2199 Screening compound: N-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-[5-(pyrrolidine-1-sulfonyl)-1H-indol-1-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E848-2199
N-{2-[4-(methylsulfanyl)phenyl]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

E848-2199

Molecular Formula

C25H31N3O3S2 (C25 H31 N3 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C25H31N3O3S2/c1-32-22-8-6-20(7-9-22)12-14-26-25(29)5-4-15-27-18-13-21-19-23(10-11-24(21)27)33(30,31)28-16-2-3-17-28/h6-11,13,18-19H,2-5,12,14-17H2,1H3,(H,26,29)

InChI Key

DQLBPNNSMQDGKY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14921494

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.67

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.269

Distribution Coefficient, logD

3.269

Water Solubility, LogSw

-3.57

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

E848-2199 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Lipid Metabolism Library (9174 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 E848-2199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E848-2199?
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What is the minimum amount of E848-2199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E848-2199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E848-2199
  • 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 E848-2199 available by request