3786-0789 Screening compound: N-(2,4-dimethylpentan-3-yl)-4-[(4-phenylpiperazin-1-yl)methyl]benzamide

3786-0789 Screening compound: N-(2,4-dimethylpentan-3-yl)-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
3786-0789 Screening compound: N-(2,4-dimethylpentan-3-yl)-4-[(4-phenylpiperazin-1-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3786-0789
N-(2,4-dimethylpentan-3-yl)-4-[(4-phenylpiperazin-1-yl)methyl]benzamide

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

3786-0789

Molecular Formula

C25H35N3O (C25 H35 N3 O)

Compound Name

N-(2,4-dimethylpentan-3-yl)-4-[(4-phenylpiperazin-1-yl)methyl]benzamide

IUPAC name

N-(24-dimethylpentan-3-yl)-4-[(4-phenylpiperazin-1-yl)methyl]benzamide

SMILES

CC(C)C(C(C)C)NC(c1ccc(CN(CC2)CCN2c2ccccc2)cc1)=O

InChI

InChI=1S/C25H35N3O/c1-19(2)24(20(3)4)26-25(29)22-12-10-21(11-13-22)18-27-14-16-28(17-15-27)23-8-6-5-7-9-23/h5-13,19-20,24H,14-18H2,1-4H3,(H,26,29)

InChI Key

UQGDDIOUMIMVHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02640146

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.57

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.910

Distribution Coefficient, logD

4.841

Water Solubility, LogSw

-4.43

Polar Surface Area

31.268

Acid Dissociation Constant (pKa)

15.53

Base Dissociation Constant (pKb)

6.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

3786-0789 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Immune system
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 3786-0789 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3786-0789?
Check Price and Availability of 3786-0789, 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 3786-0789 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3786-0789
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3786-0789
  • 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 3786-0789 available by request