2554-4849 Screening compound: (2E)-2-cyano-3-(2-nitrophenyl)-N-phenylprop-2-enamide

2554-4849 Screening compound: (2E)-2-cyano-3-(2-nitrophenyl)-N-phenylprop-2-enamide
2554-4849 Screening compound: (2E)-2-cyano-3-(2-nitrophenyl)-N-phenylprop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2554-4849
(2E)-2-cyano-3-(2-nitrophenyl)-N-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

2554-4849

Molecular Formula

C16H11N3O3 (C16 H11 N3 O3)

Compound Name

(2E)-2-cyano-3-(2-nitrophenyl)-N-phenylprop-2-enamide

IUPAC name

(2E)-2-cyano-3-(2-nitrophenyl)-N-phenylprop-2-enamide

SMILES

N#C/C(/C(Nc1ccccc1)=O)=C\c(cccc1)c1[N+]([O-])=O

InChI

InChI=1S/C16H11N3O3/c17-11-13(16(20)18-14-7-2-1-3-8-14)10-12-6-4-5-9-15(12)19(21)22/h1-10H,(H,18,20)

InChI Key

YGFSZHNCDGFHOT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01800587

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.28

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

3.033

Distribution Coefficient, logD

3.031

Water Solubility, LogSw

-3.67

Polar Surface Area

73.466

Acid Dissociation Constant (pKa)

9.77

Base Dissociation Constant (pKb)

-0.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

2554-4849 in Drug Discovery

Included in Screening Libraries

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 2554-4849 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2554-4849?
Check Price and Availability of 2554-4849, 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 2554-4849 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2554-4849
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2554-4849
  • 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 2554-4849 available by request