C094-2176 Screening compound: 2-{N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-acetamidophenyl)formamido}-N-(3-ethoxypropyl)-2-(4-methylphenyl)acetamide

C094-2176 Screening compound: 2-{N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-acetamidophenyl)formamido}-N-(3-ethoxypropyl)-2-(4-methylphenyl)acetamide
C094-2176 Screening compound: 2-{N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-acetamidophenyl)formamido}-N-(3-ethoxypropyl)-2-(4-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C094-2176
2-{N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-acetamidophenyl)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

C094-2176

Molecular Formula

C31H35N3O6 (C31 H35 N3 O6)

Compound Name

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

IUPAC name

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

SMILES

CCOCCCNC(C(c1ccc(C)cc1)N(Cc(cc1)cc2c1OCO2)C(c(cc1)ccc1NC(C)=O)=O)=O

InChI

InChI=1S/C31H35N3O6/c1-4-38-17-5-16-32-30(36)29(24-9-6-21(2)7-10-24)34(19-23-8-15-27-28(18-23)40-20-39-27)31(37)25-11-13-26(14-12-25)33-22(3)35/h6-15,18,29H,4-5,16-17,19-20H2,1-3H3,(H,32,36)(H,33,35)/t29-/m1/s1

InChI Key

MDCFQDIHENFTKO-GDLZYMKVSA-N

MDL Number (MFCD)

MFCD03828826

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

545.64

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

3.772

Distribution Coefficient, logD

3.772

Water Solubility, LogSw

-3.86

Polar Surface Area

88.043

Acid Dissociation Constant (pKa)

10.78

Base Dissociation Constant (pKb)

1.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.30

C094-2176 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C094-2176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C094-2176?
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What is the minimum amount of C094-2176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C094-2176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C094-2176
  • 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 C094-2176 available by request