2679-1926 Screening compound: (2Z)-N-benzyl-3-[2-bromo-5-methoxy-4-(prop-2-en-1-yloxy)phenyl]-2-cyanoprop-2-enamide

2679-1926 Screening compound: (2Z)-N-benzyl-3-[2-bromo-5-methoxy-4-(prop-2-en-1-yloxy)phenyl]-2-cyanoprop-2-enamide
2679-1926 Screening compound: (2Z)-N-benzyl-3-[2-bromo-5-methoxy-4-(prop-2-en-1-yloxy)phenyl]-2-cyanoprop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2679-1926
(2Z)-N-benzyl-3-[2-bromo-5-methoxy-4-(prop-2-en-1-yloxy)phenyl]-2-cyanoprop-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

2679-1926

Molecular Formula

C21H19BrN2O3 (C21 H19 BrN2 O3)

Compound Name

(2Z)-N-benzyl-3-[2-bromo-5-methoxy-4-(prop-2-en-1-yloxy)phenyl]-2-cyanoprop-2-enamide

IUPAC name

(2Z)-N-benzyl-3-[2-bromo-5-methoxy-4-(prop-2-en-1-yloxy)phenyl]-2-cyanoprop-2-enamide

SMILES

COc(c(OCC=C)c1)cc(/C=C(\C(NCc2ccccc2)=O)/C#N)c1Br

InChI

InChI=1S/C21H19BrN2O3/c1-3-9-27-20-12-18(22)16(11-19(20)26-2)10-17(13-23)21(25)24-14-15-7-5-4-6-8-15/h3-8,10-12H,1,9,14H2,2H3,(H,24,25)

InChI Key

NIDLDOYYOVFBLR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02084671

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.650

Distribution Coefficient, logD

3.646

Water Solubility, LogSw

-3.97

Polar Surface Area

56.843

Acid Dissociation Constant (pKa)

9.48

Base Dissociation Constant (pKb)

-2.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

2679-1926 in Drug Discovery

Included in Screening Libraries

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

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 2679-1926 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2679-1926?
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What is the minimum amount of 2679-1926 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2679-1926
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2679-1926
  • 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 2679-1926 available by request