C469-0215 Screening compound: (2E)-N-(1,3-benzothiazol-2-yl)-2-cyano-3-{4-[2-(4-acetamidophenoxy)ethoxy]phenyl}prop-2-enamide

C469-0215 Screening compound: (2E)-N-(1,3-benzothiazol-2-yl)-2-cyano-3-{4-[2-(4-acetamidophenoxy)ethoxy]phenyl}prop-2-enamide
C469-0215 Screening compound: (2E)-N-(1,3-benzothiazol-2-yl)-2-cyano-3-{4-[2-(4-acetamidophenoxy)ethoxy]phenyl}prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C469-0215
(2E)-N-(1,3-benzothiazol-2-yl)-2-cyano-3-{4-[2-(4-acetamidophenoxy)ethoxy]phenyl}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

C469-0215

Molecular Formula

C27H22N4O4S (C27 H22 N4 O4 S)

Compound Name

(2E)-N-(1,3-benzothiazol-2-yl)-2-cyano-3-{4-[2-(4-acetamidophenoxy)ethoxy]phenyl}prop-2-enamide

IUPAC name

(2E)-N-(13-benzothiazol-2-yl)-2-cyano-3-{4-[2-(4-acetamidophenoxy)ethoxy]phenyl}prop-2-enamide

SMILES

CC(Nc(cc1)ccc1OCCOc1ccc(/C=C(/C(Nc2nc(cccc3)c3s2)=O)\C#N)cc1)=O

InChI

InChI=1S/C27H22N4O4S/c1-18(32)29-21-8-12-23(13-9-21)35-15-14-34-22-10-6-19(7-11-22)16-20(17-28)26(33)31-27-30-24-4-2-3-5-25(24)36-27/h2-13,16H,14-15H2,1H3,(H,29,32)(H,30,31,33)

InChI Key

NAAOAQXZFXKLBD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14760392

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.083

Distribution Coefficient, logD

5.054

Water Solubility, LogSw

-4.87

Polar Surface Area

87.973

Acid Dissociation Constant (pKa)

8.55

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

C469-0215 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Lipid Metabolism Library (9174 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cardiovascular
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C469-0215 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C469-0215?
Check Price and Availability of C469-0215, 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 C469-0215 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C469-0215
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C469-0215
  • 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 C469-0215 available by request