1683-6455 Screening compound: (2E)-N-(3-acetylphenyl)-3-(2H-1,3-benzodioxol-5-yl)prop-2-enamide

1683-6455 Screening compound: (2E)-N-(3-acetylphenyl)-3-(2H-1,3-benzodioxol-5-yl)prop-2-enamide
1683-6455 Screening compound: (2E)-N-(3-acetylphenyl)-3-(2H-1,3-benzodioxol-5-yl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1683-6455
(2E)-N-(3-acetylphenyl)-3-(2H-1,3-benzodioxol-5-yl)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

1683-6455

Molecular Formula

C18H15NO4 (C18 H15 NO4)

Compound Name

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

IUPAC name

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

SMILES

CC(c1cccc(NC(/C=C/c(cc2)cc3c2OCO3)=O)c1)=O

InChI

InChI=1S/C18H15NO4/c1-12(20)14-3-2-4-15(10-14)19-18(21)8-6-13-5-7-16-17(9-13)23-11-22-16/h2-10H,11H2,1H3,(H,19,21)

InChI Key

FHRJAARBADTKDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00705580

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.443

Distribution Coefficient, logD

3.443

Water Solubility, LogSw

-3.60

Polar Surface Area

54.058

Acid Dissociation Constant (pKa)

10.95

Base Dissociation Constant (pKb)

1.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

1683-6455 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

KRAS-Targeted Library (16000 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 1683-6455 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1683-6455?
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What is the minimum amount of 1683-6455 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1683-6455
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1683-6455
  • 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 1683-6455 available by request