4092-1134 Screening compound: 4-bromo-2-({4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl}methyl)phenol

4092-1134 Screening compound: 4-bromo-2-({4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl}methyl)phenol
4092-1134 Screening compound: 4-bromo-2-({4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl}methyl)phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4092-1134
4-bromo-2-({4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl}methyl)phenol

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

4092-1134

Molecular Formula

C20H25BrN2O3 (C20 H25 BrN2 O3)

Compound Name

4-bromo-2-({4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl}methyl)phenol

IUPAC name

4-bromo-2-({4-[(23-dimethoxyphenyl)methyl]piperazin-1-yl}methyl)phenol

SMILES

COc1cccc(CN2CCN(Cc(cc(cc3)Br)c3O)CC2)c1OC

InChI

InChI=1S/C20H25BrN2O3/c1-25-19-5-3-4-15(20(19)26-2)13-22-8-10-23(11-9-22)14-16-12-17(21)6-7-18(16)24/h3-7,12,24H,8-11,13-14H2,1-2H3

InChI Key

GPDFLPWLYMKOID-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02215820

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

421.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.337

Distribution Coefficient, logD

2.103

Water Solubility, LogSw

-2.98

Polar Surface Area

39.407

Acid Dissociation Constant (pKa)

10.24

Base Dissociation Constant (pKb)

8.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

4092-1134 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with 4092-1134 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4092-1134?
Check Price and Availability of 4092-1134, 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 4092-1134 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4092-1134
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4092-1134
  • 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 4092-1134 available by request