6623-2086 Screening compound: ethyl 2-(2-{[(benzyloxy)carbonyl]amino}-3-phenylpropanamido)acetate

6623-2086 Screening compound: ethyl 2-(2-{[(benzyloxy)carbonyl]amino}-3-phenylpropanamido)acetate
6623-2086 Screening compound: ethyl 2-(2-{[(benzyloxy)carbonyl]amino}-3-phenylpropanamido)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6623-2086
ethyl 2-(2-{[(benzyloxy)carbonyl]amino}-3-phenylpropanamido)acetate

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

6623-2086

Molecular Formula

C21H24N2O5 (C21 H24 N2 O5)

Compound Name

ethyl 2-(2-{[(benzyloxy)carbonyl]amino}-3-phenylpropanamido)acetate

IUPAC name

ethyl 2-(2-{[(benzyloxy)carbonyl]amino}-3-phenylpropanamido)acetate

SMILES

CCOC(CNC(C(Cc1ccccc1)NC(OCc1ccccc1)=O)=O)=O

InChI

InChI=1S/C21H24N2O5/c1-2-27-19(24)14-22-20(25)18(13-16-9-5-3-6-10-16)23-21(26)28-15-17-11-7-4-8-12-17/h3-12,18H,2,13-15H2,1H3,(H,22,25)(H,23,26)/t18-/m0/s1

InChI Key

VJZPGAICPGGHTL-SFHVURJKSA-N

MDL Number (MFCD)

MFCD00693521

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.146

Distribution Coefficient, logD

3.146

Water Solubility, LogSw

-3.19

Polar Surface Area

77.582

Acid Dissociation Constant (pKa)

12.65

Base Dissociation Constant (pKb)

-1.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

6623-2086 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Structure:
  • Pool
Targets:
  • Proteases
  • Phosphatases
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 6623-2086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6623-2086?
Check Price and Availability of 6623-2086, 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 6623-2086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6623-2086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6623-2086
  • 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 6623-2086 available by request