3410-2081 Screening compound: 3-(2,4-dichloroanilino)-5-(2-furyl)-2-cyclohexen-1-one

3410-2081 Screening compound: 3-(2,4-dichloroanilino)-5-(2-furyl)-2-cyclohexen-1-one
3410-2081 Screening compound: 3-(2,4-dichloroanilino)-5-(2-furyl)-2-cyclohexen-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3410-2081
3-(2,4-dichloroanilino)-5-(2-furyl)-2-cyclohexen-1-one

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

3410-2081

Molecular Formula

C16H13Cl2NO2 (C16 H13 Cl2 NO2)

Compound Name

3-(2,4-dichloroanilino)-5-(2-furyl)-2-cyclohexen-1-one

IUPAC name

3-[(24-dichlorophenyl)amino]-5-(furan-2-yl)cyclohex-2-en-1-one

SMILES

O=C(CC(C1)c2ccco2)C=C1Nc(ccc(Cl)c1)c1Cl

InChI

InChI=1S/C16H13Cl2NO2/c17-11-3-4-15(14(18)8-11)19-12-6-10(7-13(20)9-12)16-2-1-5-21-16/h1-5,8-10,19H,6-7H2/t10-/m0/s1

InChI Key

MKRVMPJGFCWINB-JTQLQIEISA-N

MDL Number (MFCD)

MFCD01946369

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.19

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.492

Distribution Coefficient, logD

2.770

Water Solubility, LogSw

-4.33

Polar Surface Area

30.875

Acid Dissociation Constant (pKa)

5.69

Base Dissociation Constant (pKb)

2.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.75

3410-2081 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3410-2081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3410-2081?
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What is the minimum amount of 3410-2081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3410-2081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3410-2081
  • 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 3410-2081 available by request