C094-2175 Screening compound: 2-{N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(2-hydroxyphenyl)formamido}-N-(3-ethoxypropyl)-2-(4-methylphenyl)acetamide

C094-2175 Screening compound: 2-{N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(2-hydroxyphenyl)formamido}-N-(3-ethoxypropyl)-2-(4-methylphenyl)acetamide
C094-2175 Screening compound: 2-{N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(2-hydroxyphenyl)formamido}-N-(3-ethoxypropyl)-2-(4-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C094-2175
2-{N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(2-hydroxyphenyl)formamido}-N-(3-ethoxypropyl)-2-(4-methylphenyl)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

C094-2175

Molecular Formula

C29H32N2O6 (C29 H32 N2 O6)

Compound Name

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

IUPAC name

2-{N-[(2H-13-benzodioxol-5-yl)methyl]-1-(2-hydroxyphenyl)formamido}-N-(3-ethoxypropyl)-2-(4-methylphenyl)acetamide

SMILES

CCOCCCNC(C(c1ccc(C)cc1)N(Cc(cc1)cc2c1OCO2)C(c(cccc1)c1O)=O)=O

InChI

InChI=1S/C29H32N2O6/c1-3-35-16-6-15-30-28(33)27(22-12-9-20(2)10-13-22)31(29(34)23-7-4-5-8-24(23)32)18-21-11-14-25-26(17-21)37-19-36-25/h4-5,7-14,17,27,32H,3,6,15-16,18-19H2,1-2H3,(H,30,33)/t27-/m1/s1

InChI Key

DUGBBHZNMDHGNL-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD03828825

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.798

Distribution Coefficient, logD

4.797

Water Solubility, LogSw

-4.05

Polar Surface Area

81.329

Acid Dissociation Constant (pKa)

10.71

Base Dissociation Constant (pKb)

1.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.00

C094-2175 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C094-2175 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C094-2175?
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What is the minimum amount of C094-2175 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C094-2175
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C094-2175
  • 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 C094-2175 available by request