K415-0191 Screening compound: (2E)-3-(3,4-dimethoxyphenyl)-N-{4-[5-(3,4-dimethoxyphenyl)-1H-1,2,3-triazol-1-yl]phenyl}prop-2-enamide

K415-0191 Screening compound: (2E)-3-(3,4-dimethoxyphenyl)-N-{4-[5-(3,4-dimethoxyphenyl)-1H-1,2,3-triazol-1-yl]phenyl}prop-2-enamide
K415-0191 Screening compound: (2E)-3-(3,4-dimethoxyphenyl)-N-{4-[5-(3,4-dimethoxyphenyl)-1H-1,2,3-triazol-1-yl]phenyl}prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K415-0191
(2E)-3-(3,4-dimethoxyphenyl)-N-{4-[5-(3,4-dimethoxyphenyl)-1H-1,2,3-triazol-1-yl]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

K415-0191

Molecular Formula

C27H26N4O5 (C27 H26 N4 O5)

Compound Name

(2E)-3-(3,4-dimethoxyphenyl)-N-{4-[5-(3,4-dimethoxyphenyl)-1H-1,2,3-triazol-1-yl]phenyl}prop-2-enamide

IUPAC name

(2E)-3-(34-dimethoxyphenyl)-N-{4-[5-(34-dimethoxyphenyl)-1H-123-triazol-1-yl]phenyl}prop-2-enamide

SMILES

COc(ccc(/C=C/C(Nc(cc1)ccc1-n1nncc1-c(cc1)cc(OC)c1OC)=O)c1)c1OC

InChI

InChI=1S/C27H26N4O5/c1-33-23-12-5-18(15-25(23)35-3)6-14-27(32)29-20-8-10-21(11-9-20)31-22(17-28-30-31)19-7-13-24(34-2)26(16-19)36-4/h5-17H,1-4H3,(H,29,32)

InChI Key

FBLBMLBDXCOZRM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04413122

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.273

Distribution Coefficient, logD

4.273

Water Solubility, LogSw

-4.37

Polar Surface Area

79.622

Acid Dissociation Constant (pKa)

12.54

Base Dissociation Constant (pKb)

0.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

K415-0191 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Human Transcription Factors Annotated Library (5098 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

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with K415-0191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K415-0191?
Check Price and Availability of K415-0191, 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 K415-0191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K415-0191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K415-0191
  • 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 K415-0191 available by request