3701-0163 Screening compound: 1-(3-chlorobenzoyl)-4-[(2-methylphenyl)methyl]piperazine

3701-0163 Screening compound: 1-(3-chlorobenzoyl)-4-[(2-methylphenyl)methyl]piperazine
3701-0163 Screening compound: 1-(3-chlorobenzoyl)-4-[(2-methylphenyl)methyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3701-0163
1-(3-chlorobenzoyl)-4-[(2-methylphenyl)methyl]piperazine

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

3701-0163

Molecular Formula

C19H21ClN2O (C19 H21 ClN2 O)

Compound Name

1-(3-chlorobenzoyl)-4-[(2-methylphenyl)methyl]piperazine

IUPAC name

1-(3-chlorobenzoyl)-4-[(2-methylphenyl)methyl]piperazine

SMILES

Cc1c(CN(CC2)CCN2C(c2cccc(Cl)c2)=O)cccc1

InChI

InChI=1S/C19H21ClN2O/c1-15-5-2-3-6-17(15)14-21-9-11-22(12-10-21)19(23)16-7-4-8-18(20)13-16/h2-8,13H,9-12,14H2,1H3

InChI Key

LFXXHMAJFHWLHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02177329

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

328.84

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.770

Distribution Coefficient, logD

3.760

Water Solubility, LogSw

-4.04

Polar Surface Area

20.427

Acid Dissociation Constant (pKa)

28.15

Base Dissociation Constant (pKb)

5.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

3701-0163 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with 3701-0163 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3701-0163?
Check Price and Availability of 3701-0163, 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 3701-0163 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3701-0163
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3701-0163
  • 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 3701-0163 available by request