4239-0088 Screening compound: N-(3-chloro-2-methylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide

4239-0088 Screening compound: N-(3-chloro-2-methylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
4239-0088 Screening compound: N-(3-chloro-2-methylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4239-0088
N-(3-chloro-2-methylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide

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

4239-0088

Molecular Formula

C21H26ClN3O2 (C21 H26 ClN3 O2)

Compound Name

N-(3-chloro-2-methylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide

IUPAC name

N-(3-chloro-2-methylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide

SMILES

Cc(c(NC(CCN(CC1)CCN1c(cccc1)c1OC)=O)ccc1)c1Cl

InChI

InChI=1S/C21H26ClN3O2/c1-16-17(22)6-5-7-18(16)23-21(26)10-11-24-12-14-25(15-13-24)19-8-3-4-9-20(19)27-2/h3-9H,10-15H2,1-2H3,(H,23,26)

InChI Key

PFSDLHQKLXSOCX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02815555

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.91

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.670

Distribution Coefficient, logD

3.643

Water Solubility, LogSw

-3.87

Polar Surface Area

36.991

Acid Dissociation Constant (pKa)

10.60

Base Dissociation Constant (pKb)

6.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

4239-0088 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 4239-0088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4239-0088?
Check Price and Availability of 4239-0088, 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 4239-0088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4239-0088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4239-0088
  • 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 4239-0088 available by request