C094-2193 Screening compound: 2-{N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-acetamidophenyl)formamido}-2-(4-chlorophenyl)-N-(3-ethoxypropyl)acetamide

C094-2193 Screening compound: 2-{N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-acetamidophenyl)formamido}-2-(4-chlorophenyl)-N-(3-ethoxypropyl)acetamide
C094-2193 Screening compound: 2-{N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-acetamidophenyl)formamido}-2-(4-chlorophenyl)-N-(3-ethoxypropyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C094-2193
2-{N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-acetamidophenyl)formamido}-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

C094-2193

Molecular Formula

C30H32ClN3O6 (C30 H32 ClN3 O6)

Compound Name

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

IUPAC name

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

SMILES

CCOCCCNC(C(c(cc1)ccc1Cl)N(Cc(cc1)cc2c1OCO2)C(c(cc1)ccc1NC(C)=O)=O)=O

InChI

InChI=1S/C30H32ClN3O6/c1-3-38-16-4-15-32-29(36)28(22-6-10-24(31)11-7-22)34(18-21-5-14-26-27(17-21)40-19-39-26)30(37)23-8-12-25(13-9-23)33-20(2)35/h5-14,17,28H,3-4,15-16,18-19H2,1-2H3,(H,32,36)(H,33,35)/t28-/m1/s1

InChI Key

GRFSMDRNHGETKW-MUUNZHRXSA-N

MDL Number (MFCD)

MFCD03828830

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

566.05

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

3.943

Distribution Coefficient, logD

3.943

Water Solubility, LogSw

-4.56

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

30.00

C094-2193 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 C094-2193 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C094-2193?
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What is the minimum amount of C094-2193 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C094-2193
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C094-2193
  • 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 C094-2193 available by request