3253-0976 Screening compound: 2-{[(4-benzylpiperazin-1-yl)imino]methyl}-4-bromophenol

3253-0976 Screening compound: 2-{[(4-benzylpiperazin-1-yl)imino]methyl}-4-bromophenol
3253-0976 Screening compound: 2-{[(4-benzylpiperazin-1-yl)imino]methyl}-4-bromophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 3253-0976
2-{[(4-benzylpiperazin-1-yl)imino]methyl}-4-bromophenol

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

3253-0976

Molecular Formula

C18H20BrN3O (C18 H20 BrN3 O)

Compound Name

2-{[(4-benzylpiperazin-1-yl)imino]methyl}-4-bromophenol

IUPAC name

2-{[(4-benzylpiperazin-1-yl)imino]methyl}-4-bromophenol

SMILES

Oc(cc1)c(C=NN2CCN(Cc3ccccc3)CC2)cc1Br

InChI

InChI=1S/C18H20BrN3O/c19-17-6-7-18(23)16(12-17)13-20-22-10-8-21(9-11-22)14-15-4-2-1-3-5-15/h1-7,12-13,23H,8-11,14H2

InChI Key

AOWZKTAGLHAXBR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01654823

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.28

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.896

Distribution Coefficient, logD

3.680

Water Solubility, LogSw

-3.61

Polar Surface Area

33.394

Acid Dissociation Constant (pKa)

9.82

Base Dissociation Constant (pKb)

7.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

3253-0976 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3253-0976 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3253-0976?
Check Price and Availability of 3253-0976, 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 3253-0976 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3253-0976
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3253-0976
  • 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 3253-0976 available by request