E746-0039 Screening compound: N-cyclooctyl-4-(1H-pyrazol-1-yl)benzene-1-sulfonamide

E746-0039 Screening compound: N-cyclooctyl-4-(1H-pyrazol-1-yl)benzene-1-sulfonamide
E746-0039 Screening compound: N-cyclooctyl-4-(1H-pyrazol-1-yl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E746-0039
N-cyclooctyl-4-(1H-pyrazol-1-yl)benzene-1-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

E746-0039

Molecular Formula

C17H23N3O2S (C17 H23 N3 O2 S)

Compound Name

N-cyclooctyl-4-(1H-pyrazol-1-yl)benzene-1-sulfonamide

IUPAC name

N-cyclooctyl-4-(1H-pyrazol-1-yl)benzene-1-sulfonamide

SMILES

O=S(c(cc1)ccc1-n1nccc1)(NC1CCCCCCC1)=O

InChI

InChI=1S/C17H23N3O2S/c21-23(22,19-15-7-4-2-1-3-5-8-15)17-11-9-16(10-12-17)20-14-6-13-18-20/h6,9-15,19H,1-5,7-8H2

InChI Key

VEGLZGBXOPAAMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14914786

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.243

Distribution Coefficient, logD

4.243

Water Solubility, LogSw

-4.24

Polar Surface Area

56.641

Acid Dissociation Constant (pKa)

11.52

Base Dissociation Constant (pKb)

1.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

E746-0039 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with E746-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E746-0039?
Check Price and Availability of E746-0039, 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 E746-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E746-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E746-0039
  • 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 E746-0039 available by request