3414-0325 Screening compound: 3-[(2E)-3-(3-bromophenyl)-2-methylprop-2-enoyl]-4,6-dimethyl-1,2-dihydropyridin-2-one

3414-0325 Screening compound: 3-[(2E)-3-(3-bromophenyl)-2-methylprop-2-enoyl]-4,6-dimethyl-1,2-dihydropyridin-2-one
3414-0325 Screening compound: 3-[(2E)-3-(3-bromophenyl)-2-methylprop-2-enoyl]-4,6-dimethyl-1,2-dihydropyridin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3414-0325
3-[(2E)-3-(3-bromophenyl)-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

3414-0325

Molecular Formula

C17H16BrNO2 (C17 H16 BrNO2)

Compound Name

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

IUPAC name

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

SMILES

C/C(/C(C1=C(C)C=C(C)NC1=O)=O)=C\c1cccc(Br)c1

InChI

InChI=1S/C17H16BrNO2/c1-10-7-12(3)19-17(21)15(10)16(20)11(2)8-13-5-4-6-14(18)9-13/h4-9H,1-3H3,(H,19,21)

InChI Key

NGMGWANNNWSSEZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01332905

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.22

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.999

Distribution Coefficient, logD

1.860

Water Solubility, LogSw

-4.11

Polar Surface Area

38.439

Acid Dissociation Constant (pKa)

5.26

Base Dissociation Constant (pKb)

-3.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

3414-0325 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3414-0325 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3414-0325?
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What is the minimum amount of 3414-0325 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3414-0325
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3414-0325
  • 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 3414-0325 available by request