0411-0046 Screening compound: 2-bromo-1-(4-heptylphenyl)ethan-1-one

0411-0046 Screening compound: 2-bromo-1-(4-heptylphenyl)ethan-1-one
0411-0046 Screening compound: 2-bromo-1-(4-heptylphenyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0411-0046
2-bromo-1-(4-heptylphenyl)ethan-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

0411-0046

Molecular Formula

C15H21BrO (C15 H21 BrO)

Compound Name

2-bromo-1-(4-heptylphenyl)ethan-1-one

IUPAC name

2-bromo-1-(4-heptylphenyl)ethan-1-one

SMILES

CCCCCCCc(cc1)ccc1C(CBr)=O

InChI

InChI=1S/C15H21BrO/c1-2-3-4-5-6-7-13-8-10-14(11-9-13)15(17)12-16/h8-11H,2-7,12H2,1H3

InChI Key

IXEZJRBBSZMJNU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00805184

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.24

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

5.699

Distribution Coefficient, logD

5.699

Water Solubility, LogSw

-5.34

Polar Surface Area

13.485

Acid Dissociation Constant (pKa)

19.04

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.30

0411-0046 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Regenerative Medicine Focused Library (23016 compounds)

STING Agonist Library (5895 compounds)

Covalent Inhibitors Library (7986 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Immune system
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Others
  • Phosphatases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 0411-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0411-0046?
Check Price and Availability of 0411-0046, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 0411-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0411-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0411-0046
  • 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 0411-0046 available by request