3253-5181 Screening compound: 4-bromo-2-[(Z)-[(4-phenylpiperazin-1-yl)imino]methyl]phenol

3253-5181 Screening compound: 4-bromo-2-[(Z)-[(4-phenylpiperazin-1-yl)imino]methyl]phenol
3253-5181 Screening compound: 4-bromo-2-[(Z)-[(4-phenylpiperazin-1-yl)imino]methyl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 3253-5181
4-bromo-2-[(Z)-[(4-phenylpiperazin-1-yl)imino]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

3253-5181

Molecular Formula

C17H18BrN3O (C17 H18 BrN3 O)

Compound Name

4-bromo-2-[(Z)-[(4-phenylpiperazin-1-yl)imino]methyl]phenol

IUPAC name

4-bromo-2-[(Z)-[(4-phenylpiperazin-1-yl)imino]methyl]phenol

SMILES

Oc(cc1)c(/C=N\N(CC2)CCN2c2ccccc2)cc1Br

InChI

InChI=1S/C17H18BrN3O/c18-15-6-7-17(22)14(12-15)13-19-21-10-8-20(9-11-21)16-4-2-1-3-5-16/h1-7,12-13,22H,8-11H2

InChI Key

DCVIUVQRHBTMOK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01914747

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.25

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.215

Distribution Coefficient, logD

4.213

Water Solubility, LogSw

-3.94

Polar Surface Area

33.114

Acid Dissociation Constant (pKa)

9.82

Base Dissociation Constant (pKb)

6.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

3253-5181 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3253-5181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3253-5181?
Check Price and Availability of 3253-5181, 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 3253-5181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3253-5181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3253-5181
  • 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 3253-5181 available by request