3063-0149 Screening compound: 1,3-diethyl 2-{[5-amino-2-(2-ethoxy-2-oxoethoxy)phenyl]methyl}-2-acetamidopropanedioate

3063-0149 Screening compound: 1,3-diethyl 2-{[5-amino-2-(2-ethoxy-2-oxoethoxy)phenyl]methyl}-2-acetamidopropanedioate
3063-0149 Screening compound: 1,3-diethyl 2-{[5-amino-2-(2-ethoxy-2-oxoethoxy)phenyl]methyl}-2-acetamidopropanedioate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3063-0149
1,3-diethyl 2-{[5-amino-2-(2-ethoxy-2-oxoethoxy)phenyl]methyl}-2-acetamidopropanedioate

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

3063-0149

Molecular Formula

C20H28N2O8 (C20 H28 N2 O8)

Compound Name

1,3-diethyl 2-{[5-amino-2-(2-ethoxy-2-oxoethoxy)phenyl]methyl}-2-acetamidopropanedioate

IUPAC name

13-diethyl 2-{[5-amino-2-(2-ethoxy-2-oxoethoxy)phenyl]methyl}-2-acetamidopropanedioate

SMILES

CCOC(COc(cc1)c(CC(C(OCC)=O)(C(OCC)=O)NC(C)=O)cc1N)=O

InChI

InChI=1S/C20H28N2O8/c1-5-27-17(24)12-30-16-9-8-15(21)10-14(16)11-20(22-13(4)23,18(25)28-6-2)19(26)29-7-3/h8-10H,5-7,11-12,21H2,1-4H3,(H,22,23)

InChI Key

NPTDNINJXMDFRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00508232

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.45

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.206

Distribution Coefficient, logD

1.203

Water Solubility, LogSw

-2.07

Polar Surface Area

114.549

Acid Dissociation Constant (pKa)

12.14

Base Dissociation Constant (pKb)

5.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

3063-0149 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 3063-0149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3063-0149?
Check Price and Availability of 3063-0149, 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 3063-0149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3063-0149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3063-0149
  • 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 3063-0149 available by request