3414-0313 Screening compound: 3-[(2E)-3-(2,3-dimethoxyphenyl)-2-methylprop-2-enoyl]-4,6-dimethyl-1,2-dihydropyridin-2-one

3414-0313 Screening compound: 3-[(2E)-3-(2,3-dimethoxyphenyl)-2-methylprop-2-enoyl]-4,6-dimethyl-1,2-dihydropyridin-2-one
3414-0313 Screening compound: 3-[(2E)-3-(2,3-dimethoxyphenyl)-2-methylprop-2-enoyl]-4,6-dimethyl-1,2-dihydropyridin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3414-0313
3-[(2E)-3-(2,3-dimethoxyphenyl)-2-methylprop-2-enoyl]-4,6-dimethyl-1,2-dihydropyridin-2-one

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

3414-0313

Molecular Formula

C19H21NO4 (C19 H21 NO4)

Compound Name

3-[(2E)-3-(2,3-dimethoxyphenyl)-2-methylprop-2-enoyl]-4,6-dimethyl-1,2-dihydropyridin-2-one

IUPAC name

3-[(2E)-3-(23-dimethoxyphenyl)-2-methylprop-2-enoyl]-46-dimethyl-12-dihydropyridin-2-one

SMILES

C/C(/C(C1=C(C)C=C(C)NC1=O)=O)=C\c(cccc1OC)c1OC

InChI

InChI=1S/C19H21NO4/c1-11-9-13(3)20-19(22)16(11)17(21)12(2)10-14-7-6-8-15(23-4)18(14)24-5/h6-10H,1-5H3,(H,20,22)

InChI Key

FGGAVQHQJCHQIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00850137

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.058

Distribution Coefficient, logD

0.919

Water Solubility, LogSw

-3.48

Polar Surface Area

53.786

Acid Dissociation Constant (pKa)

5.26

Base Dissociation Constant (pKb)

-3.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

3414-0313 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 3414-0313 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3414-0313?
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What is the minimum amount of 3414-0313 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3414-0313
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3414-0313
  • 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 3414-0313 available by request