3343-3293 Screening compound: (2E)-3-[3-(azepane-1-sulfonyl)-4,5-dimethoxyphenyl]prop-2-enoic acid

3343-3293 Screening compound: (2E)-3-[3-(azepane-1-sulfonyl)-4,5-dimethoxyphenyl]prop-2-enoic acid
3343-3293 Screening compound: (2E)-3-[3-(azepane-1-sulfonyl)-4,5-dimethoxyphenyl]prop-2-enoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3343-3293
(2E)-3-[3-(azepane-1-sulfonyl)-4,5-dimethoxyphenyl]prop-2-enoic acid

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

3343-3293

Molecular Formula

C17H23NO6S (C17 H23 NO6 S)

Compound Name

(2E)-3-[3-(azepane-1-sulfonyl)-4,5-dimethoxyphenyl]prop-2-enoic acid

IUPAC name

(2E)-3-[3-(azepane-1-sulfonyl)-45-dimethoxyphenyl]prop-2-enoic acid

SMILES

COc1cc(/C=C/C(O)=O)cc(S(N2CCCCCC2)(=O)=O)c1OC

InChI

InChI=1S/C17H23NO6S/c1-23-14-11-13(7-8-16(19)20)12-15(17(14)24-2)25(21,22)18-9-5-3-4-6-10-18/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,19,20)

InChI Key

ZWJPEMLXLNYGKJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02658252

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.44

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.618

Distribution Coefficient, logD

-0.573

Water Solubility, LogSw

-2.81

Polar Surface Area

76.012

Acid Dissociation Constant (pKa)

4.21

Base Dissociation Constant (pKb)

-2.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

3343-3293 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

KRAS-Targeted Library (16000 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3343-3293 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3343-3293?
Check Price and Availability of 3343-3293, 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 3343-3293 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3343-3293
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3343-3293
  • 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 3343-3293 available by request