L470-0659 Screening compound: (2E)-N-{[5-(azepane-1-sulfonyl)thiophen-2-yl]methyl}-3-(4-methoxyphenyl)prop-2-enamide

L470-0659 Screening compound: (2E)-N-{[5-(azepane-1-sulfonyl)thiophen-2-yl]methyl}-3-(4-methoxyphenyl)prop-2-enamide
L470-0659 Screening compound: (2E)-N-{[5-(azepane-1-sulfonyl)thiophen-2-yl]methyl}-3-(4-methoxyphenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L470-0659
(2E)-N-{[5-(azepane-1-sulfonyl)thiophen-2-yl]methyl}-3-(4-methoxyphenyl)prop-2-enamide

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

L470-0659

Molecular Formula

C21H26N2O4S2 (C21 H26 N2 O4 S2)

Compound Name

(2E)-N-{[5-(azepane-1-sulfonyl)thiophen-2-yl]methyl}-3-(4-methoxyphenyl)prop-2-enamide

IUPAC name

(2E)-N-{[5-(azepane-1-sulfonyl)thiophen-2-yl]methyl}-3-(4-methoxyphenyl)prop-2-enamide

SMILES

COc1ccc(/C=C/C(NCc(s2)ccc2S(N2CCCCCC2)(=O)=O)=O)cc1

InChI

InChI=1S/C21H26N2O4S2/c1-27-18-9-6-17(7-10-18)8-12-20(24)22-16-19-11-13-21(28-19)29(25,26)23-14-4-2-3-5-15-23/h6-13H,2-5,14-16H2,1H3,(H,22,24)

InChI Key

HIIMWOHXDJXQNA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27255018

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.240

Distribution Coefficient, logD

4.240

Water Solubility, LogSw

-4.14

Polar Surface Area

65.042

Acid Dissociation Constant (pKa)

13.96

Base Dissociation Constant (pKb)

-0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

L470-0659 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with L470-0659 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L470-0659?
Check Price and Availability of L470-0659, 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 L470-0659 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L470-0659
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L470-0659
  • 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 L470-0659 available by request