2159-0781 Screening compound: (2E)-3-(2,5-dimethoxyphenyl)-N-[(oxolan-2-yl)methyl]prop-2-enamide

2159-0781 Screening compound: (2E)-3-(2,5-dimethoxyphenyl)-N-[(oxolan-2-yl)methyl]prop-2-enamide
2159-0781 Screening compound: (2E)-3-(2,5-dimethoxyphenyl)-N-[(oxolan-2-yl)methyl]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2159-0781
(2E)-3-(2,5-dimethoxyphenyl)-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

2159-0781

Molecular Formula

C16H21NO4 (C16 H21 NO4)

Compound Name

(2E)-3-(2,5-dimethoxyphenyl)-N-[(oxolan-2-yl)methyl]prop-2-enamide

IUPAC name

(2E)-3-(25-dimethoxyphenyl)-N-[(oxolan-2-yl)methyl]prop-2-enamide

SMILES

COc(cc1)cc(/C=C/C(NCC2OCCC2)=O)c1OC

InChI

InChI=1S/C16H21NO4/c1-19-13-6-7-15(20-2)12(10-13)5-8-16(18)17-11-14-4-3-9-21-14/h5-8,10,14H,3-4,9,11H2,1-2H3,(H,17,18)/t14-/m1/s1

InChI Key

UEESXKNBZADVGW-CQSZACIVSA-N

MDL Number (MFCD)

MFCD01182561

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.318

Distribution Coefficient, logD

2.318

Water Solubility, LogSw

-2.87

Polar Surface Area

48.267

Acid Dissociation Constant (pKa)

14.65

Base Dissociation Constant (pKb)

1.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.80

2159-0781 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 2159-0781 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2159-0781?
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What is the minimum amount of 2159-0781 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2159-0781
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2159-0781
  • 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 2159-0781 available by request