4292-0525 Screening compound: N-[(1E)-1-(4-bromophenyl)-3-oxo-3-(piperidin-1-yl)prop-1-en-2-yl]-2-methoxybenzamide

4292-0525 Screening compound: N-[(1E)-1-(4-bromophenyl)-3-oxo-3-(piperidin-1-yl)prop-1-en-2-yl]-2-methoxybenzamide
4292-0525 Screening compound: N-[(1E)-1-(4-bromophenyl)-3-oxo-3-(piperidin-1-yl)prop-1-en-2-yl]-2-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4292-0525
N-[(1E)-1-(4-bromophenyl)-3-oxo-3-(piperidin-1-yl)prop-1-en-2-yl]-2-methoxybenzamide

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

4292-0525

Molecular Formula

C22H23BrN2O3 (C22 H23 BrN2 O3)

Compound Name

N-[(1E)-1-(4-bromophenyl)-3-oxo-3-(piperidin-1-yl)prop-1-en-2-yl]-2-methoxybenzamide

IUPAC name

N-[(1E)-1-(4-bromophenyl)-3-oxo-3-(piperidin-1-yl)prop-1-en-2-yl]-2-methoxybenzamide

SMILES

COc(cccc1)c1C(N/C(/C(N1CCCCC1)=O)=C/c(cc1)ccc1Br)=O

InChI

InChI=1S/C22H23BrN2O3/c1-28-20-8-4-3-7-18(20)21(26)24-19(15-16-9-11-17(23)12-10-16)22(27)25-13-5-2-6-14-25/h3-4,7-12,15H,2,5-6,13-14H2,1H3,(H,24,26)

InChI Key

GYEJUCBBHXPTIB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02986716

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.34

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

4.285

Distribution Coefficient, logD

1.481

Water Solubility, LogSw

-4.34

Polar Surface Area

46.442

Acid Dissociation Constant (pKa)

26.02

Base Dissociation Constant (pKb)

6.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

4292-0525 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 4292-0525 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4292-0525?
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What is the minimum amount of 4292-0525 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4292-0525
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4292-0525
  • 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 4292-0525 available by request