8020-2780 Screening compound: 1-(5-bromo-2-hydroxy-4-methoxyphenyl)propan-1-one

8020-2780 Screening compound: 1-(5-bromo-2-hydroxy-4-methoxyphenyl)propan-1-one
8020-2780 Screening compound: 1-(5-bromo-2-hydroxy-4-methoxyphenyl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-2780
1-(5-bromo-2-hydroxy-4-methoxyphenyl)propan-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

8020-2780

Molecular Formula

C10H11BrO3 (C10 H11 BrO3)

Compound Name

1-(5-bromo-2-hydroxy-4-methoxyphenyl)propan-1-one

IUPAC name

1-(5-bromo-2-hydroxy-4-methoxyphenyl)propan-1-one

SMILES

CCC(c(c(O)c1)cc(Br)c1OC)=O

InChI

InChI=1S/C10H11BrO3/c1-3-8(12)6-4-7(11)10(14-2)5-9(6)13/h4-5,13H,3H2,1-2H3

InChI Key

LABHOHBLMGKXRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11983428

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

259.1

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

2.896

Distribution Coefficient, logD

2.893

Water Solubility, LogSw

-2.81

Polar Surface Area

37.664

Acid Dissociation Constant (pKa)

9.47

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

8020-2780 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

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

Cardiovascular Library (22201 compounds)

Soluble Diversity Library (15920 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Agro:
  • Agro
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8020-2780 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-2780?
Check Price and Availability of 8020-2780, 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 8020-2780 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-2780
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-2780
  • 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 8020-2780 available by request