1187-1463 Screening compound: (2E)-3-(4-bromophenyl)-1-(2,4,6-trimethylphenyl)prop-2-en-1-one

1187-1463 Screening compound: (2E)-3-(4-bromophenyl)-1-(2,4,6-trimethylphenyl)prop-2-en-1-one
1187-1463 Screening compound: (2E)-3-(4-bromophenyl)-1-(2,4,6-trimethylphenyl)prop-2-en-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1187-1463
(2E)-3-(4-bromophenyl)-1-(2,4,6-trimethylphenyl)prop-2-en-1-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

1187-1463

Molecular Formula

C18H17BrO (C18 H17 BrO)

Compound Name

(2E)-3-(4-bromophenyl)-1-(2,4,6-trimethylphenyl)prop-2-en-1-one

IUPAC name

(2E)-3-(4-bromophenyl)-1-(246-trimethylphenyl)prop-2-en-1-one

SMILES

Cc1cc(C)c(C(/C=C/c(cc2)ccc2Br)=O)c(C)c1

InChI

InChI=1S/C18H17BrO/c1-12-10-13(2)18(14(3)11-12)17(20)9-6-15-4-7-16(19)8-5-15/h4-11H,1-3H3

InChI Key

MPWTXJOUZYFHNU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00519314

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.24

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

6.211

Distribution Coefficient, logD

6.211

Water Solubility, LogSw

-5.58

Polar Surface Area

13.214

Acid Dissociation Constant (pKa)

27.26

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

1187-1463 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 1187-1463 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1187-1463?
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What is the minimum amount of 1187-1463 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1187-1463
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1187-1463
  • 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 1187-1463 available by request