3379-1161 Screening compound: N-[3-(2H-1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl]-N-{[4-(propan-2-yloxy)phenyl]methyl}acetamide

3379-1161 Screening compound: N-[3-(2H-1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl]-N-{[4-(propan-2-yloxy)phenyl]methyl}acetamide
3379-1161 Screening compound: N-[3-(2H-1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl]-N-{[4-(propan-2-yloxy)phenyl]methyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3379-1161
N-[3-(2H-1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl]-N-{[4-(propan-2-yloxy)phenyl]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

3379-1161

Molecular Formula

C29H33NO5 (C29 H33 NO5)

Compound Name

N-[3-(2H-1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl]-N-{[4-(propan-2-yloxy)phenyl]methyl}acetamide

IUPAC name

N-[3-(2H-13-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl]-N-{[4-(propan-2-yloxy)phenyl]methyl}acetamide

SMILES

CC(C)Oc1ccc(CN(CCC(c(cc2)cc3c2OCO3)c(cccc2)c2OC)C(C)=O)cc1

InChI

InChI=1S/C29H33NO5/c1-20(2)35-24-12-9-22(10-13-24)18-30(21(3)31)16-15-25(26-7-5-6-8-27(26)32-4)23-11-14-28-29(17-23)34-19-33-28/h5-14,17,20,25H,15-16,18-19H2,1-4H3/t25-/m0/s1

InChI Key

BJINKCRYMIKKCL-VWLOTQADSA-N

MDL Number (MFCD)

MFCD02927686

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.661

Distribution Coefficient, logD

5.661

Water Solubility, LogSw

-5.46

Polar Surface Area

48.173

Acid Dissociation Constant (pKa)

24.05

Base Dissociation Constant (pKb)

-2.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.50

3379-1161 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3379-1161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3379-1161?
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What is the minimum amount of 3379-1161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3379-1161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3379-1161
  • 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 3379-1161 available by request