2381-0851 Screening compound: (2E)-3-[5-(2,5-dichlorophenyl)furan-2-yl]-2-[(E)-piperidine-1-carbonyl]prop-2-enenitrile

2381-0851 Screening compound: (2E)-3-[5-(2,5-dichlorophenyl)furan-2-yl]-2-[(E)-piperidine-1-carbonyl]prop-2-enenitrile
2381-0851 Screening compound: (2E)-3-[5-(2,5-dichlorophenyl)furan-2-yl]-2-[(E)-piperidine-1-carbonyl]prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 2381-0851
(2E)-3-[5-(2,5-dichlorophenyl)furan-2-yl]-2-[(E)-piperidine-1-carbonyl]prop-2-enenitrile

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

2381-0851

Molecular Formula

C19H16Cl2N2O2 (C19 H16 Cl2 N2 O2)

Compound Name

(2E)-3-[5-(2,5-dichlorophenyl)furan-2-yl]-2-[(E)-piperidine-1-carbonyl]prop-2-enenitrile

IUPAC name

(2E)-3-[5-(25-dichlorophenyl)furan-2-yl]-2-[(E)-piperidine-1-carbonyl]prop-2-enenitrile

SMILES

N#C/C(/C(N1CCCCC1)=O)=C\c1ccc(-c(cc(cc2)Cl)c2Cl)o1

InChI

InChI=1S/C19H16Cl2N2O2/c20-14-4-6-17(21)16(11-14)18-7-5-15(25-18)10-13(12-22)19(24)23-8-2-1-3-9-23/h4-7,10-11H,1-3,8-9H2

InChI Key

SNHFLNJQCALEPF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01056449

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

375.25

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.040

Distribution Coefficient, logD

5.040

Water Solubility, LogSw

-5.23

Polar Surface Area

41.513

Acid Dissociation Constant (pKa)

28.03

Base Dissociation Constant (pKb)

-0.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

2381-0851 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2381-0851 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2381-0851?
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What is the minimum amount of 2381-0851 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2381-0851
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2381-0851
  • 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 2381-0851 available by request