C094-2192 Screening compound: 2-{N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(2-hydroxyphenyl)formamido}-2-(4-chlorophenyl)-N-(3-ethoxypropyl)acetamide

C094-2192 Screening compound: 2-{N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(2-hydroxyphenyl)formamido}-2-(4-chlorophenyl)-N-(3-ethoxypropyl)acetamide
C094-2192 Screening compound: 2-{N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(2-hydroxyphenyl)formamido}-2-(4-chlorophenyl)-N-(3-ethoxypropyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C094-2192
2-{N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(2-hydroxyphenyl)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

C094-2192

Molecular Formula

C28H29ClN2O6 (C28 H29 ClN2 O6)

Compound Name

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

IUPAC name

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

SMILES

CCOCCCNC(C(c(cc1)ccc1Cl)N(Cc(cc1)cc2c1OCO2)C(c(cccc1)c1O)=O)=O

InChI

InChI=1S/C28H29ClN2O6/c1-2-35-15-5-14-30-27(33)26(20-9-11-21(29)12-10-20)31(28(34)22-6-3-4-7-23(22)32)17-19-8-13-24-25(16-19)37-18-36-24/h3-4,6-13,16,26,32H,2,5,14-15,17-18H2,1H3,(H,30,33)/t26-/m1/s1

InChI Key

WPLKDPVLIQLEKA-AREMUKBSSA-N

MDL Number (MFCD)

MFCD03828829

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

525

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

4.969

Distribution Coefficient, logD

4.969

Water Solubility, LogSw

-4.71

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

28.60

C094-2192 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C094-2192 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C094-2192?
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What is the minimum amount of C094-2192 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C094-2192
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C094-2192
  • 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 C094-2192 available by request