2556-1954 Screening compound: (2E)-2-cyano-3-(4-hydroxyphenyl)-N-[(oxolan-2-yl)methyl]prop-2-enamide

2556-1954 Screening compound: (2E)-2-cyano-3-(4-hydroxyphenyl)-N-[(oxolan-2-yl)methyl]prop-2-enamide
2556-1954 Screening compound: (2E)-2-cyano-3-(4-hydroxyphenyl)-N-[(oxolan-2-yl)methyl]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2556-1954
(2E)-2-cyano-3-(4-hydroxyphenyl)-N-[(oxolan-2-yl)methyl]prop-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

2556-1954

Molecular Formula

C15H16N2O3 (C15 H16 N2 O3)

Compound Name

(2E)-2-cyano-3-(4-hydroxyphenyl)-N-[(oxolan-2-yl)methyl]prop-2-enamide

IUPAC name

(2E)-2-cyano-3-(4-hydroxyphenyl)-N-[(oxolan-2-yl)methyl]prop-2-enamide

SMILES

N#C/C(/C(NCC1OCCC1)=O)=C\c(cc1)ccc1O

InChI

InChI=1S/C15H16N2O3/c16-9-12(8-11-3-5-13(18)6-4-11)15(19)17-10-14-2-1-7-20-14/h3-6,8,14,18H,1-2,7,10H2,(H,17,19)/t14-/m1/s1

InChI Key

IDTDUTZKWVLQOU-CQSZACIVSA-N

MDL Number (MFCD)

MFCD01163170

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

272.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.048

Distribution Coefficient, logD

1.046

Water Solubility, LogSw

-1.82

Polar Surface Area

67.979

Acid Dissociation Constant (pKa)

9.67

Base Dissociation Constant (pKb)

-0.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

2556-1954 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 2556-1954 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2556-1954?
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What is the minimum amount of 2556-1954 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2556-1954
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2556-1954
  • 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 2556-1954 available by request