4964-2635 Screening compound: 1-{4-[(5-bromo-2-methoxyphenyl)methyl]piperazin-1-yl}-2-phenoxyethan-1-one

4964-2635 Screening compound: 1-{4-[(5-bromo-2-methoxyphenyl)methyl]piperazin-1-yl}-2-phenoxyethan-1-one
4964-2635 Screening compound: 1-{4-[(5-bromo-2-methoxyphenyl)methyl]piperazin-1-yl}-2-phenoxyethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4964-2635
1-{4-[(5-bromo-2-methoxyphenyl)methyl]piperazin-1-yl}-2-phenoxyethan-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

4964-2635

Molecular Formula

C20H23BrN2O3 (C20 H23 BrN2 O3)

Compound Name

1-{4-[(5-bromo-2-methoxyphenyl)methyl]piperazin-1-yl}-2-phenoxyethan-1-one

IUPAC name

1-{4-[(5-bromo-2-methoxyphenyl)methyl]piperazin-1-yl}-2-phenoxyethan-1-one

SMILES

COc(cc1)c(CN(CC2)CCN2C(COc2ccccc2)=O)cc1Br

InChI

InChI=1S/C20H23BrN2O3/c1-25-19-8-7-17(21)13-16(19)14-22-9-11-23(12-10-22)20(24)15-26-18-5-3-2-4-6-18/h2-8,13H,9-12,14-15H2,1H3

InChI Key

IQKOLRJTXZOQKJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01824818

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.949

Distribution Coefficient, logD

2.920

Water Solubility, LogSw

-3.12

Polar Surface Area

35.029

Acid Dissociation Constant (pKa)

25.23

Base Dissociation Constant (pKb)

6.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

4964-2635 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

CNS BBB Library (22607 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
  • Immune system
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4964-2635 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4964-2635?
Check Price and Availability of 4964-2635, 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 4964-2635 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4964-2635
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4964-2635
  • 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 4964-2635 available by request