E975-1442 Screening compound: N-ethyl-N-(4-methoxyphenyl)-5H,6H,7H,8H,9H,10H-cyclohepta[b]indole-2-sulfonamide

E975-1442 Screening compound: N-ethyl-N-(4-methoxyphenyl)-5H,6H,7H,8H,9H,10H-cyclohepta[b]indole-2-sulfonamide
E975-1442 Screening compound: N-ethyl-N-(4-methoxyphenyl)-5H,6H,7H,8H,9H,10H-cyclohepta[b]indole-2-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E975-1442
N-ethyl-N-(4-methoxyphenyl)-5H,6H,7H,8H,9H,10H-cyclohepta[b]indole-2-sulfonamide

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

E975-1442

Molecular Formula

C22H26N2O3S (C22 H26 N2 O3 S)

Compound Name

N-ethyl-N-(4-methoxyphenyl)-5H,6H,7H,8H,9H,10H-cyclohepta[b]indole-2-sulfonamide

IUPAC name

N-ethyl-N-(4-methoxyphenyl)-5H6H7H8H9H10H-cyclohepta[b]indole-2-sulfonamide

SMILES

CCN(c(cc1)ccc1OC)S(c(cc1)cc2c1[nH]c1c2CCCCC1)(=O)=O

InChI

InChI=1S/C22H26N2O3S/c1-3-24(16-9-11-17(27-2)12-10-16)28(25,26)18-13-14-22-20(15-18)19-7-5-4-6-8-21(19)23-22/h9-15,23H,3-8H2,1-2H3

InChI Key

YWNQBXWVKWZUCG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14934271

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.568

Distribution Coefficient, logD

4.568

Water Solubility, LogSw

-4.43

Polar Surface Area

50.434

Acid Dissociation Constant (pKa)

18.51

Base Dissociation Constant (pKb)

-3.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

E975-1442 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS targets activity set (6557 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with E975-1442 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E975-1442?
Check Price and Availability of E975-1442, 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 E975-1442 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E975-1442
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E975-1442
  • 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 E975-1442 available by request