1683-6457 Screening compound: methyl 3-[(2E)-3-(2H-1,3-benzodioxol-5-yl)prop-2-enamido]benzoate

1683-6457 Screening compound: methyl 3-[(2E)-3-(2H-1,3-benzodioxol-5-yl)prop-2-enamido]benzoate
1683-6457 Screening compound: methyl 3-[(2E)-3-(2H-1,3-benzodioxol-5-yl)prop-2-enamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1683-6457
methyl 3-[(2E)-3-(2H-1,3-benzodioxol-5-yl)prop-2-enamido]benzoate

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

1683-6457

Molecular Formula

C18H15NO5 (C18 H15 NO5)

Compound Name

methyl 3-[(2E)-3-(2H-1,3-benzodioxol-5-yl)prop-2-enamido]benzoate

IUPAC name

methyl 3-[(2E)-3-(2H-13-benzodioxol-5-yl)prop-2-enamido]benzoate

SMILES

COC(c1cc(NC(/C=C/c(cc2)cc3c2OCO3)=O)ccc1)=O

InChI

InChI=1S/C18H15NO5/c1-22-18(21)13-3-2-4-14(10-13)19-17(20)8-6-12-5-7-15-16(9-12)24-11-23-15/h2-10H,11H2,1H3,(H,19,20)

InChI Key

ZTYDZGHYQBIQRV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00705584

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.974

Distribution Coefficient, logD

3.974

Water Solubility, LogSw

-4.18

Polar Surface Area

61.406

Acid Dissociation Constant (pKa)

12.10

Base Dissociation Constant (pKb)

-0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

1683-6457 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Antiviral Annotated Library (21441 compounds)

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 1683-6457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1683-6457?
Check Price and Availability of 1683-6457, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 1683-6457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1683-6457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1683-6457
  • 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 1683-6457 available by request