0934-0676 Screening compound: (2E)-2-[(E)-morpholine-4-carbonyl]-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enenitrile

0934-0676 Screening compound: (2E)-2-[(E)-morpholine-4-carbonyl]-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enenitrile
0934-0676 Screening compound: (2E)-2-[(E)-morpholine-4-carbonyl]-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 0934-0676
(2E)-2-[(E)-morpholine-4-carbonyl]-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enenitrile

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

0934-0676

Molecular Formula

C18H15N3O5 (C18 H15 N3 O5)

Compound Name

(2E)-2-[(E)-morpholine-4-carbonyl]-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enenitrile

IUPAC name

(2E)-2-[(E)-morpholine-4-carbonyl]-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enenitrile

SMILES

N#C/C(/C(N1CCOCC1)=O)=C\c1ccc(-c2cccc([N+]([O-])=O)c2)o1

InChI

InChI=1S/C18H15N3O5/c19-12-14(18(22)20-6-8-25-9-7-20)11-16-4-5-17(26-16)13-2-1-3-15(10-13)21(23)24/h1-5,10-11H,6-9H2

InChI Key

NQTBYWMUDKAJNJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00993389

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.33

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.622

Distribution Coefficient, logD

2.622

Water Solubility, LogSw

-2.73

Polar Surface Area

82.803

Acid Dissociation Constant (pKa)

29.01

Base Dissociation Constant (pKb)

-2.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

0934-0676 in Drug Discovery

Included in Screening Libraries

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:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 0934-0676 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0934-0676?
Check Price and Availability of 0934-0676, 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 0934-0676 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0934-0676
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0934-0676
  • 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 0934-0676 available by request