1683-0745 Screening compound: (2E)-N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-3-phenylprop-2-enamide

1683-0745 Screening compound: (2E)-N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-3-phenylprop-2-enamide
1683-0745 Screening compound: (2E)-N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-3-phenylprop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1683-0745
(2E)-N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-3-phenylprop-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

1683-0745

Molecular Formula

C18H17N3O (C18 H17 N3 O)

Compound Name

(2E)-N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-3-phenylprop-2-enamide

IUPAC name

(2E)-N-[2-(1H-13-benzodiazol-2-yl)ethyl]-3-phenylprop-2-enamide

SMILES

O=C(/C=C/c1ccccc1)NCCc1nc(cccc2)c2[nH]1

InChI

InChI=1S/C18H17N3O/c22-18(11-10-14-6-2-1-3-7-14)19-13-12-17-20-15-8-4-5-9-16(15)21-17/h1-11H,12-13H2,(H,19,22)(H,20,21)

InChI Key

DPWOQDMHZNVSPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00706838

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.35

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.451

Distribution Coefficient, logD

3.450

Water Solubility, LogSw

-3.65

Polar Surface Area

44.561

Acid Dissociation Constant (pKa)

13.46

Base Dissociation Constant (pKb)

4.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

1683-0745 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

KRAS-Targeted Library (16000 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

Structure:
  • Pool
  • Cyclic compounds
  • 3D
  • Fragments
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 1683-0745 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1683-0745?
Check Price and Availability of 1683-0745, 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 1683-0745 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1683-0745
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1683-0745
  • 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 1683-0745 available by request