4213-0118 Screening compound: ethyl (2E)-3-[5-(2-bromophenyl)furan-2-yl]-2-cyanoprop-2-enoate

4213-0118 Screening compound: ethyl (2E)-3-[5-(2-bromophenyl)furan-2-yl]-2-cyanoprop-2-enoate
4213-0118 Screening compound: ethyl (2E)-3-[5-(2-bromophenyl)furan-2-yl]-2-cyanoprop-2-enoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4213-0118
ethyl (2E)-3-[5-(2-bromophenyl)furan-2-yl]-2-cyanoprop-2-enoate

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

4213-0118

Molecular Formula

C16H12BrNO3 (C16 H12 BrNO3)

Compound Name

ethyl (2E)-3-[5-(2-bromophenyl)furan-2-yl]-2-cyanoprop-2-enoate

IUPAC name

ethyl (2E)-3-[5-(2-bromophenyl)furan-2-yl]-2-cyanoprop-2-enoate

SMILES

CCOC(/C(/C#N)=C/c1ccc(-c(cccc2)c2Br)o1)=O

InChI

InChI=1S/C16H12BrNO3/c1-2-20-16(19)11(10-18)9-12-7-8-15(21-12)13-5-3-4-6-14(13)17/h3-9H,2H2,1H3

InChI Key

AGCKFWVOABAYBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02253221

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.18

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.170

Distribution Coefficient, logD

4.170

Water Solubility, LogSw

-4.22

Polar Surface Area

45.618

Acid Dissociation Constant (pKa)

30.32

Base Dissociation Constant (pKb)

-5.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

4213-0118 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

KRAS-Targeted Library (16000 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4213-0118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4213-0118?
Check Price and Availability of 4213-0118, 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 4213-0118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4213-0118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4213-0118
  • 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 4213-0118 available by request