8019-1891 Screening compound: 2,3-bis[benzyl(ethoxycarbonyl)amino]butanedioic acid

8019-1891 Screening compound: 2,3-bis[benzyl(ethoxycarbonyl)amino]butanedioic acid
8019-1891 Screening compound: 2,3-bis[benzyl(ethoxycarbonyl)amino]butanedioic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-1891
2,3-bis[benzyl(ethoxycarbonyl)amino]butanedioic acid

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

8019-1891

Molecular Formula

C24H28N2O8 (C24 H28 N2 O8)

Compound Name

2,3-bis[benzyl(ethoxycarbonyl)amino]butanedioic acid

IUPAC name

23-bis[benzyl(ethoxycarbonyl)amino]butanedioic acid

SMILES

CCOC(N(Cc1ccccc1)C(C(C(O)=O)N(Cc1ccccc1)C(OCC)=O)C(O)=O)=O

InChI

InChI=1S/C24H28N2O8/c1-3-33-23(31)25(15-17-11-7-5-8-12-17)19(21(27)28)20(22(29)30)26(24(32)34-4-2)16-18-13-9-6-10-14-18/h5-14,19-20H,3-4,15-16H2,1-2H3,(H,27,28)(H,29,30)

InChI Key

OXSPCEBYBRVEKY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00990175

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.49

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.186

Distribution Coefficient, logD

-1.405

Water Solubility, LogSw

-2.25

Polar Surface Area

99.822

Acid Dissociation Constant (pKa)

3.81

Base Dissociation Constant (pKb)

-3.46

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

8019-1891 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CORONAVIRUS Library (20774 compounds)

Dark Chemical Matter Library (18430 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Structure:
  • Pool
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8019-1891 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-1891?
Check Price and Availability of 8019-1891, 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 8019-1891 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-1891
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-1891
  • 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 8019-1891 available by request