5586-2424 Screening compound: ethyl 3-{[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]amino}propanoate

5586-2424 Screening compound: ethyl 3-{[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]amino}propanoate
5586-2424 Screening compound: ethyl 3-{[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]amino}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5586-2424
ethyl 3-{[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]amino}propanoate

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

5586-2424

Molecular Formula

C14H19NO4 (C14 H19 NO4)

Compound Name

ethyl 3-{[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]amino}propanoate

IUPAC name

ethyl 3-{[(23-dihydro-14-benzodioxin-2-yl)methyl]amino}propanoate

SMILES

CCOC(CCNCC1Oc(cccc2)c2OC1)=O

InChI

InChI=1S/C14H19NO4/c1-2-17-14(16)7-8-15-9-11-10-18-12-5-3-4-6-13(12)19-11/h3-6,11,15H,2,7-10H2,1H3/t11-/m0/s1

InChI Key

HNXGXYPCJMVNQV-NSHDSACASA-N

MDL Number (MFCD)

MFCD01540599

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

265.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.370

Distribution Coefficient, logD

1.107

Water Solubility, LogSw

-1.90

Polar Surface Area

47.955

Acid Dissociation Constant (pKa)

23.73

Base Dissociation Constant (pKb)

7.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with 5586-2424 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5586-2424?
Check Price and Availability of 5586-2424, 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 5586-2424 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5586-2424
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5586-2424
  • 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 5586-2424 available by request