3002-0714 Screening compound: 2-ethoxyethyl 4-(2,3-dihydro-1,4-benzodioxine-2-amido)benzoate

3002-0714 Screening compound: 2-ethoxyethyl 4-(2,3-dihydro-1,4-benzodioxine-2-amido)benzoate
3002-0714 Screening compound: 2-ethoxyethyl 4-(2,3-dihydro-1,4-benzodioxine-2-amido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3002-0714
2-ethoxyethyl 4-(2,3-dihydro-1,4-benzodioxine-2-amido)benzoate

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

3002-0714

Molecular Formula

C20H21NO6 (C20 H21 NO6)

Compound Name

2-ethoxyethyl 4-(2,3-dihydro-1,4-benzodioxine-2-amido)benzoate

IUPAC name

2-ethoxyethyl 4-(23-dihydro-14-benzodioxine-2-amido)benzoate

SMILES

CCOCCOC(c(cc1)ccc1NC(C1Oc(cccc2)c2OC1)=O)=O

InChI

InChI=1S/C20H21NO6/c1-2-24-11-12-25-20(23)14-7-9-15(10-8-14)21-19(22)18-13-26-16-5-3-4-6-17(16)27-18/h3-10,18H,2,11-13H2,1H3,(H,21,22)/t18-/m0/s1

InChI Key

XEXWGDXSSCFNAD-SFHVURJKSA-N

MDL Number (MFCD)

MFCD02223846

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.222

Distribution Coefficient, logD

3.222

Water Solubility, LogSw

-3.38

Polar Surface Area

67.792

Acid Dissociation Constant (pKa)

10.19

Base Dissociation Constant (pKb)

-1.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

3002-0714 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 3002-0714 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3002-0714?
Check Price and Availability of 3002-0714, 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 3002-0714 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3002-0714
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3002-0714
  • 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 3002-0714 available by request