E667-0253 Screening compound: ethyl 3-(2,3,4,9-tetrahydro-1H-carbazole-6-sulfonamido)benzoate

E667-0253 Screening compound: ethyl 3-(2,3,4,9-tetrahydro-1H-carbazole-6-sulfonamido)benzoate
E667-0253 Screening compound: ethyl 3-(2,3,4,9-tetrahydro-1H-carbazole-6-sulfonamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E667-0253
ethyl 3-(2,3,4,9-tetrahydro-1H-carbazole-6-sulfonamido)benzoate

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

E667-0253

Molecular Formula

C21H22N2O4S (C21 H22 N2 O4 S)

Compound Name

ethyl 3-(2,3,4,9-tetrahydro-1H-carbazole-6-sulfonamido)benzoate

IUPAC name

ethyl 3-(2349-tetrahydro-1H-carbazole-6-sulfonamido)benzoate

SMILES

CCOC(c1cccc(NS(c(cc2)cc3c2[nH]c2c3CCCC2)(=O)=O)c1)=O

InChI

InChI=1S/C21H22N2O4S/c1-2-27-21(24)14-6-5-7-15(12-14)23-28(25,26)16-10-11-20-18(13-16)17-8-3-4-9-19(17)22-20/h5-7,10-13,22-23H,2-4,8-9H2,1H3

InChI Key

FEJCFLFNRICCNR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14908904

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.428

Distribution Coefficient, logD

4.328

Water Solubility, LogSw

-4.26

Polar Surface Area

72.412

Acid Dissociation Constant (pKa)

7.99

Base Dissociation Constant (pKb)

-3.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

E667-0253 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

SH2 Library (10483 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
  • PPI modulators
Therapeutical areas:
  • Cancer
  • Endocrine
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with E667-0253 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E667-0253?
Check Price and Availability of E667-0253, 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 E667-0253 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E667-0253
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E667-0253
  • 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 E667-0253 available by request