1683-6433 Screening compound: (2E)-3-(2H-1,3-benzodioxol-5-yl)-N-(1-phenylethyl)prop-2-enamide

1683-6433 Screening compound: (2E)-3-(2H-1,3-benzodioxol-5-yl)-N-(1-phenylethyl)prop-2-enamide
1683-6433 Screening compound: (2E)-3-(2H-1,3-benzodioxol-5-yl)-N-(1-phenylethyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1683-6433
(2E)-3-(2H-1,3-benzodioxol-5-yl)-N-(1-phenylethyl)prop-2-enamide

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

1683-6433

Molecular Formula

C18H17NO3 (C18 H17 NO3)

Compound Name

(2E)-3-(2H-1,3-benzodioxol-5-yl)-N-(1-phenylethyl)prop-2-enamide

IUPAC name

(2E)-3-(2H-13-benzodioxol-5-yl)-N-(1-phenylethyl)prop-2-enamide

SMILES

CC(c1ccccc1)NC(/C=C/c(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C18H17NO3/c1-13(15-5-3-2-4-6-15)19-18(20)10-8-14-7-9-16-17(11-14)22-12-21-16/h2-11,13H,12H2,1H3,(H,19,20)/t13-/m0/s1

InChI Key

FCDPAVJDNBSFRI-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD00705542

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.597

Distribution Coefficient, logD

3.597

Water Solubility, LogSw

-3.67

Polar Surface Area

40.717

Acid Dissociation Constant (pKa)

13.14

Base Dissociation Constant (pKb)

1.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

1683-6433 in Drug Discovery

Included in Screening Libraries

Glucocorticoid receptors Library (4806 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 1683-6433 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1683-6433?
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What is the minimum amount of 1683-6433 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1683-6433
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1683-6433
  • 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 1683-6433 available by request