8019-8715 Screening compound: ethyl 4-(2H-1,3-benzodioxol-5-yloxy)-3-(4-methoxy-4-oxobutanamido)benzoate

8019-8715 Screening compound: ethyl 4-(2H-1,3-benzodioxol-5-yloxy)-3-(4-methoxy-4-oxobutanamido)benzoate
8019-8715 Screening compound: ethyl 4-(2H-1,3-benzodioxol-5-yloxy)-3-(4-methoxy-4-oxobutanamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-8715
ethyl 4-(2H-1,3-benzodioxol-5-yloxy)-3-(4-methoxy-4-oxobutanamido)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

8019-8715

Molecular Formula

C21H21NO8 (C21 H21 NO8)

Compound Name

ethyl 4-(2H-1,3-benzodioxol-5-yloxy)-3-(4-methoxy-4-oxobutanamido)benzoate

IUPAC name

ethyl 4-(2H-13-benzodioxol-5-yloxy)-3-(4-methoxy-4-oxobutanamido)benzoate

SMILES

CCOC(c(cc1)cc(NC(CCC(OC)=O)=O)c1Oc(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C21H21NO8/c1-3-27-21(25)13-4-6-16(15(10-13)22-19(23)8-9-20(24)26-2)30-14-5-7-17-18(11-14)29-12-28-17/h4-7,10-11H,3,8-9,12H2,1-2H3,(H,22,23)

InChI Key

WOOICIMEVLEIGN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12033909

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.4

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.974

Distribution Coefficient, logD

2.974

Water Solubility, LogSw

-3.47

Polar Surface Area

87.972

Acid Dissociation Constant (pKa)

11.98

Base Dissociation Constant (pKb)

-1.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

8019-8715 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • PPI modulators
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8019-8715 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-8715?
Check Price and Availability of 8019-8715, 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 8019-8715 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-8715
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-8715
  • 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 8019-8715 available by request