3379-1165 Screening compound: N-[3-(2H-1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl]-N-[(4-methoxyphenyl)methyl]acetamide

3379-1165 Screening compound: N-[3-(2H-1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl]-N-[(4-methoxyphenyl)methyl]acetamide
3379-1165 Screening compound: N-[3-(2H-1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl]-N-[(4-methoxyphenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3379-1165
N-[3-(2H-1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl]-N-[(4-methoxyphenyl)methyl]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

3379-1165

Molecular Formula

C27H29NO5 (C27 H29 NO5)

Compound Name

N-[3-(2H-1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl]-N-[(4-methoxyphenyl)methyl]acetamide

IUPAC name

N-[3-(2H-13-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl]-N-[(4-methoxyphenyl)methyl]acetamide

SMILES

CC(N(CCC(c(cc1)cc2c1OCO2)c(cccc1)c1OC)Cc(cc1)ccc1OC)=O

InChI

InChI=1S/C27H29NO5/c1-19(29)28(17-20-8-11-22(30-2)12-9-20)15-14-23(24-6-4-5-7-25(24)31-3)21-10-13-26-27(16-21)33-18-32-26/h4-13,16,23H,14-15,17-18H2,1-3H3/t23-/m0/s1

InChI Key

WBPFARVYPLNFMT-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD02575787

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.977

Distribution Coefficient, logD

4.977

Water Solubility, LogSw

-4.73

Polar Surface Area

48.914

Acid Dissociation Constant (pKa)

24.05

Base Dissociation Constant (pKb)

-2.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.60

3379-1165 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Cardiovascular Library (22201 compounds)

DGK Inhibitors Library (10558 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3379-1165 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3379-1165?
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What is the minimum amount of 3379-1165 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3379-1165
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3379-1165
  • 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 3379-1165 available by request