6264-0668 Screening compound: 2-(dimethylamino)ethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate

6264-0668 Screening compound: 2-(dimethylamino)ethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
6264-0668 Screening compound: 2-(dimethylamino)ethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6264-0668
2-(dimethylamino)ethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate

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

6264-0668

Molecular Formula

C13H17NO4 (C13 H17 NO4)

Compound Name

2-(dimethylamino)ethyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate

IUPAC name

2-(dimethylamino)ethyl 23-dihydro-14-benzodioxine-6-carboxylate

SMILES

CN(C)CCOC(c(cc1)cc2c1OCCO2)=O

InChI

InChI=1S/C13H17NO4/c1-14(2)5-6-18-13(15)10-3-4-11-12(9-10)17-8-7-16-11/h3-4,9H,5-8H2,1-2H3

InChI Key

JHEGJJVATNSAPK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01951209

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

251.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.027

Distribution Coefficient, logD

0.321

Water Solubility, LogSw

-1.91

Polar Surface Area

40.975

Acid Dissociation Constant (pKa)

30.69

Base Dissociation Constant (pKb)

8.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

6264-0668 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Soluble Diversity Library (15920 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6264-0668 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6264-0668?
Check Price and Availability of 6264-0668, 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 6264-0668 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6264-0668
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6264-0668
  • 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 6264-0668 available by request