2556-1947 Screening compound: (2E)-3-(4-tert-butylphenyl)-2-cyano-N-ethylprop-2-enamide

2556-1947 Screening compound: (2E)-3-(4-tert-butylphenyl)-2-cyano-N-ethylprop-2-enamide
2556-1947 Screening compound: (2E)-3-(4-tert-butylphenyl)-2-cyano-N-ethylprop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2556-1947
(2E)-3-(4-tert-butylphenyl)-2-cyano-N-ethylprop-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

2556-1947

Molecular Formula

C16H20N2O (C16 H20 N2 O)

Compound Name

(2E)-3-(4-tert-butylphenyl)-2-cyano-N-ethylprop-2-enamide

IUPAC name

(2E)-3-(4-tert-butylphenyl)-2-cyano-N-ethylprop-2-enamide

SMILES

CCNC(/C(/C#N)=C/c1ccc(C(C)(C)C)cc1)=O

InChI

InChI=1S/C16H20N2O/c1-5-18-15(19)13(11-17)10-12-6-8-14(9-7-12)16(2,3)4/h6-10H,5H2,1-4H3,(H,18,19)

InChI Key

GXJLWUOSMNWUKL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01163256

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

256.35

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.551

Distribution Coefficient, logD

3.551

Water Solubility, LogSw

-3.53

Polar Surface Area

41.605

Acid Dissociation Constant (pKa)

12.53

Base Dissociation Constant (pKb)

-0.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

2556-1947 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 2556-1947 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2556-1947?
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What is the minimum amount of 2556-1947 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2556-1947
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2556-1947
  • 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 2556-1947 available by request