D044-0107 Screening compound: N-{1-methyl-2-[(piperidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}-2-(3-methylphenoxy)acetamide

D044-0107 Screening compound: N-{1-methyl-2-[(piperidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}-2-(3-methylphenoxy)acetamide
D044-0107 Screening compound: N-{1-methyl-2-[(piperidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}-2-(3-methylphenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D044-0107
N-{1-methyl-2-[(piperidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}-2-(3-methylphenoxy)acetamide

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

D044-0107

Molecular Formula

C23H28N4O2 (C23 H28 N4 O2)

Compound Name

N-{1-methyl-2-[(piperidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}-2-(3-methylphenoxy)acetamide

IUPAC name

N-{1-methyl-2-[(piperidin-1-yl)methyl]-1H-13-benzodiazol-5-yl}-2-(3-methylphenoxy)acetamide

SMILES

Cc1cccc(OCC(Nc(cc2)cc3c2n(C)c(CN2CCCCC2)n3)=O)c1

InChI

InChI=1S/C23H28N4O2/c1-17-7-6-8-19(13-17)29-16-23(28)24-18-9-10-21-20(14-18)25-22(26(21)2)15-27-11-4-3-5-12-27/h6-10,13-14H,3-5,11-12,15-16H2,1-2H3,(H,24,28)

InChI Key

ZFXRJXGNXAJOSV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05858395

Chemical and Physical Properties

Saltdata

2HCl

Molecular Weight

392.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.830

Distribution Coefficient, logD

3.525

Water Solubility, LogSw

-3.83

Polar Surface Area

46.334

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

7.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

D044-0107 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with D044-0107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D044-0107?
Check Price and Availability of D044-0107, 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 D044-0107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D044-0107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D044-0107
  • 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 D044-0107 available by request