1988-1196 Screening compound: ethyl 4-(2,3-dihydro-1,4-benzodioxine-2-amido)benzoate

1988-1196 Screening compound: ethyl 4-(2,3-dihydro-1,4-benzodioxine-2-amido)benzoate
1988-1196 Screening compound: ethyl 4-(2,3-dihydro-1,4-benzodioxine-2-amido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1988-1196
ethyl 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

1988-1196

Molecular Formula

C18H17NO5 (C18 H17 NO5)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C18H17NO5/c1-2-22-18(21)12-7-9-13(10-8-12)19-17(20)16-11-23-14-5-3-4-6-15(14)24-16/h3-10,16H,2,11H2,1H3,(H,19,20)/t16-/m0/s1

InChI Key

FULRTILSYSYODL-INIZCTEOSA-N

MDL Number (MFCD)

MFCD01181543

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.487

Distribution Coefficient, logD

3.487

Water Solubility, LogSw

-3.52

Polar Surface Area

59.520

Acid Dissociation Constant (pKa)

10.19

Base Dissociation Constant (pKb)

-1.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

1988-1196 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1988-1196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1988-1196?
Check Price and Availability of 1988-1196, 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 1988-1196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1988-1196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1988-1196
  • 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 1988-1196 available by request