M414-3198 Screening compound: N-[(1-propyl-1H-1,3-benzodiazol-5-yl)methyl]cyclopentanecarboxamide

M414-3198 Screening compound: N-[(1-propyl-1H-1,3-benzodiazol-5-yl)methyl]cyclopentanecarboxamide
M414-3198 Screening compound: N-[(1-propyl-1H-1,3-benzodiazol-5-yl)methyl]cyclopentanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M414-3198
N-[(1-propyl-1H-1,3-benzodiazol-5-yl)methyl]cyclopentanecarboxamide

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

M414-3198

Molecular Formula

C17H23N3O (C17 H23 N3 O)

Compound Name

N-[(1-propyl-1H-1,3-benzodiazol-5-yl)methyl]cyclopentanecarboxamide

IUPAC name

N-[(1-propyl-1H-13-benzodiazol-5-yl)methyl]cyclopentanecarboxamide

SMILES

CCCn1c(ccc(CNC(C2CCCC2)=O)c2)c2nc1

InChI

InChI=1S/C17H23N3O/c1-2-9-20-12-19-15-10-13(7-8-16(15)20)11-18-17(21)14-5-3-4-6-14/h7-8,10,12,14H,2-6,9,11H2,1H3,(H,18,21)

InChI Key

CAYSNWIBMAEGBW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27540475

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

285.39

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.492

Distribution Coefficient, logD

2.492

Water Solubility, LogSw

-2.73

Polar Surface Area

35.645

Acid Dissociation Constant (pKa)

12.40

Base Dissociation Constant (pKb)

4.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.90

M414-3198 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS BBB Library (22607 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with M414-3198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M414-3198?
Check Price and Availability of M414-3198, 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 M414-3198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M414-3198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M414-3198
  • 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 M414-3198 available by request