5689-0044 Screening compound: 3-chloro-N-[1-(furan-2-yl)but-3-en-1-yl]aniline

5689-0044 Screening compound: 3-chloro-N-[1-(furan-2-yl)but-3-en-1-yl]aniline
5689-0044 Screening compound: 3-chloro-N-[1-(furan-2-yl)but-3-en-1-yl]aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 5689-0044
3-chloro-N-[1-(furan-2-yl)but-3-en-1-yl]aniline

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

5689-0044

Molecular Formula

C14H14ClNO (C14 H14 ClNO)

Compound Name

3-chloro-N-[1-(furan-2-yl)but-3-en-1-yl]aniline

IUPAC name

3-chloro-N-[1-(furan-2-yl)but-3-en-1-yl]aniline

SMILES

C=CCC(c1ccco1)Nc1cccc(Cl)c1

InChI

InChI=1S/C14H14ClNO/c1-2-5-13(14-8-4-9-17-14)16-12-7-3-6-11(15)10-12/h2-4,6-10,13,16H,1,5H2/t13-/m0/s1

InChI Key

TXXBXTGFSMZBCT-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD03147011

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

247.72

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.318

Distribution Coefficient, logD

4.318

Water Solubility, LogSw

-4.42

Polar Surface Area

18.682

Acid Dissociation Constant (pKa)

17.81

Base Dissociation Constant (pKb)

4.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with 5689-0044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5689-0044?
Check Price and Availability of 5689-0044, 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 5689-0044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5689-0044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5689-0044
  • 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 5689-0044 available by request