E848-3371 Screening compound: 2-[5-(azepane-1-sulfonyl)-1H-indol-1-yl]-N-[(4-ethylphenyl)methyl]propanamide

E848-3371 Screening compound: 2-[5-(azepane-1-sulfonyl)-1H-indol-1-yl]-N-[(4-ethylphenyl)methyl]propanamide
E848-3371 Screening compound: 2-[5-(azepane-1-sulfonyl)-1H-indol-1-yl]-N-[(4-ethylphenyl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E848-3371
2-[5-(azepane-1-sulfonyl)-1H-indol-1-yl]-N-[(4-ethylphenyl)methyl]propanamide

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

E848-3371

Molecular Formula

C26H33N3O3S (C26 H33 N3 O3 S)

Compound Name

2-[5-(azepane-1-sulfonyl)-1H-indol-1-yl]-N-[(4-ethylphenyl)methyl]propanamide

IUPAC name

2-[5-(azepane-1-sulfonyl)-1H-indol-1-yl]-N-[(4-ethylphenyl)methyl]propanamide

SMILES

CCc1ccc(CNC(C(C)n(cc2)c(cc3)c2cc3S(N2CCCCCC2)(=O)=O)=O)cc1

InChI

InChI=1S/C26H33N3O3S/c1-3-21-8-10-22(11-9-21)19-27-26(30)20(2)29-17-14-23-18-24(12-13-25(23)29)33(31,32)28-15-6-4-5-7-16-28/h8-14,17-18,20H,3-7,15-16,19H2,1-2H3,(H,27,30)/t20-/m0/s1

InChI Key

CTXKVWFXSBXEDI-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14921582

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.463

Distribution Coefficient, logD

4.463

Water Solubility, LogSw

-4.22

Polar Surface Area

59.216

Acid Dissociation Constant (pKa)

12.52

Base Dissociation Constant (pKb)

-0.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.30

E848-3371 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E848-3371 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E848-3371?
Check Price and Availability of E848-3371, 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 E848-3371 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E848-3371
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E848-3371
  • 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 E848-3371 available by request