3254-0196 Screening compound: (E)-1-(5-bromothiophen-2-yl)-N-{4-[(2-chlorophenyl)methyl]piperazin-1-yl}methanimine

3254-0196 Screening compound: (E)-1-(5-bromothiophen-2-yl)-N-{4-[(2-chlorophenyl)methyl]piperazin-1-yl}methanimine
3254-0196 Screening compound: (E)-1-(5-bromothiophen-2-yl)-N-{4-[(2-chlorophenyl)methyl]piperazin-1-yl}methanimine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3254-0196
(E)-1-(5-bromothiophen-2-yl)-N-{4-[(2-chlorophenyl)methyl]piperazin-1-yl}methanimine

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

3254-0196

Molecular Formula

C16H17BrClN3S (C16 H17 BrClN3 S)

Compound Name

(E)-1-(5-bromothiophen-2-yl)-N-{4-[(2-chlorophenyl)methyl]piperazin-1-yl}methanimine

IUPAC name

(E)-1-(5-bromothiophen-2-yl)-N-{4-[(2-chlorophenyl)methyl]piperazin-1-yl}methanimine

SMILES

Clc1c(CN(CC2)CCN2/N=C/c(s2)ccc2Br)cccc1

InChI

InChI=1S/C16H17BrClN3S/c17-16-6-5-14(22-16)11-19-21-9-7-20(8-10-21)12-13-3-1-2-4-15(13)18/h1-6,11H,7-10,12H2

InChI Key

JCUMWNRTXGLVBA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02076474

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.75

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.619

Distribution Coefficient, logD

4.548

Water Solubility, LogSw

-4.78

Polar Surface Area

17.864

Acid Dissociation Constant (pKa)

24.09

Base Dissociation Constant (pKb)

6.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

3254-0196 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 3254-0196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3254-0196?
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What is the minimum amount of 3254-0196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3254-0196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3254-0196
  • 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 3254-0196 available by request