C094-2177 Screening compound: 2-{N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-acetamidoacetamido}-2-(4-chlorophenyl)-N-(3-ethoxypropyl)acetamide

C094-2177 Screening compound: 2-{N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-acetamidoacetamido}-2-(4-chlorophenyl)-N-(3-ethoxypropyl)acetamide
C094-2177 Screening compound: 2-{N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-acetamidoacetamido}-2-(4-chlorophenyl)-N-(3-ethoxypropyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C094-2177
2-{N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-acetamidoacetamido}-2-(4-chlorophenyl)-N-(3-ethoxypropyl)acetamide

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

C094-2177

Molecular Formula

C25H30ClN3O6 (C25 H30 ClN3 O6)

Compound Name

2-{N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-acetamidoacetamido}-2-(4-chlorophenyl)-N-(3-ethoxypropyl)acetamide

IUPAC name

2-{N-[(2H-13-benzodioxol-5-yl)methyl]-2-acetamidoacetamido}-2-(4-chlorophenyl)-N-(3-ethoxypropyl)acetamide

SMILES

CCOCCCNC(C(c(cc1)ccc1Cl)N(Cc(cc1)cc2c1OCO2)C(CNC(C)=O)=O)=O

InChI

InChI=1S/C25H30ClN3O6/c1-3-33-12-4-11-27-25(32)24(19-6-8-20(26)9-7-19)29(23(31)14-28-17(2)30)15-18-5-10-21-22(13-18)35-16-34-21/h5-10,13,24H,3-4,11-12,14-16H2,1-2H3,(H,27,32)(H,28,30)/t24-/m1/s1

InChI Key

PJWCRDQQMFOPJT-XMMPIXPASA-N

MDL Number (MFCD)

MFCD03828827

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.98

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

1.950

Distribution Coefficient, logD

1.950

Water Solubility, LogSw

-3.28

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

C094-2177 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Dark Chemical Matter Library (18430 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 C094-2177 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C094-2177?
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What is the minimum amount of C094-2177 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C094-2177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C094-2177
  • 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 C094-2177 available by request