C094-2143 Screening compound: 2-{N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-acetamidoacetamido}-N-(3-ethoxypropyl)-2-phenylacetamide

C094-2143 Screening compound: 2-{N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-acetamidoacetamido}-N-(3-ethoxypropyl)-2-phenylacetamide
C094-2143 Screening compound: 2-{N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-acetamidoacetamido}-N-(3-ethoxypropyl)-2-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C094-2143
2-{N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-acetamidoacetamido}-N-(3-ethoxypropyl)-2-phenylacetamide

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

C094-2143

Molecular Formula

C25H31N3O6 (C25 H31 N3 O6)

Compound Name

2-{N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-acetamidoacetamido}-N-(3-ethoxypropyl)-2-phenylacetamide

IUPAC name

2-{N-[(2H-13-benzodioxol-5-yl)methyl]-2-acetamidoacetamido}-N-(3-ethoxypropyl)-2-phenylacetamide

SMILES

CCOCCCNC(C(c1ccccc1)N(Cc(cc1)cc2c1OCO2)C(CNC(C)=O)=O)=O

InChI

InChI=1S/C25H31N3O6/c1-3-32-13-7-12-26-25(31)24(20-8-5-4-6-9-20)28(23(30)15-27-18(2)29)16-19-10-11-21-22(14-19)34-17-33-21/h4-6,8-11,14,24H,3,7,12-13,15-17H2,1-2H3,(H,26,31)(H,27,29)/t24-/m1/s1

InChI Key

VPMWZGYSQGGQIE-XMMPIXPASA-N

MDL Number (MFCD)

MFCD03828816

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.360

Distribution Coefficient, logD

1.360

Water Solubility, LogSw

-2.10

Polar Surface Area

89.110

Acid Dissociation Constant (pKa)

13.55

Base Dissociation Constant (pKb)

2.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

C094-2143 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Dark Chemical Matter Library (18430 compounds)

Human GPCR Annotated Library (5539 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with C094-2143 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C094-2143?
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What is the minimum amount of C094-2143 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C094-2143
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C094-2143
  • 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 C094-2143 available by request