3253-4739 Screening compound: (E)-N-{4-[(4-chlorophenyl)methyl]piperazin-1-yl}-1-(3-methylthiophen-2-yl)methanimine

3253-4739 Screening compound: (E)-N-{4-[(4-chlorophenyl)methyl]piperazin-1-yl}-1-(3-methylthiophen-2-yl)methanimine
3253-4739 Screening compound: (E)-N-{4-[(4-chlorophenyl)methyl]piperazin-1-yl}-1-(3-methylthiophen-2-yl)methanimine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3253-4739
(E)-N-{4-[(4-chlorophenyl)methyl]piperazin-1-yl}-1-(3-methylthiophen-2-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

3253-4739

Molecular Formula

C17H20ClN3S (C17 H20 ClN3 S)

Compound Name

(E)-N-{4-[(4-chlorophenyl)methyl]piperazin-1-yl}-1-(3-methylthiophen-2-yl)methanimine

IUPAC name

(E)-N-{4-[(4-chlorophenyl)methyl]piperazin-1-yl}-1-(3-methylthiophen-2-yl)methanimine

SMILES

Cc1c(/C=N/N2CCN(Cc(cc3)ccc3Cl)CC2)scc1

InChI

InChI=1S/C17H20ClN3S/c1-14-6-11-22-17(14)12-19-21-9-7-20(8-10-21)13-15-2-4-16(18)5-3-15/h2-6,11-12H,7-10,13H2,1H3

InChI Key

BNHFDBNCDAQCFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01914420

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.88

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

4.179

Distribution Coefficient, logD

4.107

Water Solubility, LogSw

-4.38

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

35.30

3253-4739 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 3253-4739 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3253-4739?
Check Price and Availability of 3253-4739, 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 3253-4739 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3253-4739
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3253-4739
  • 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 3253-4739 available by request