M505-0677 Screening compound: N-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl]-N-(3-pyridylmethyl)amine

M505-0677 Screening compound: N-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl]-N-(3-pyridylmethyl)amine
M505-0677 Screening compound: N-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl]-N-(3-pyridylmethyl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound M505-0677
N-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl]-N-(3-pyridylmethyl)amine

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

M505-0677

Molecular Formula

C18H20N4 (C18 H20 N4)

Compound Name

N-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl]-N-(3-pyridylmethyl)amine

IUPAC name

[(35-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl][(pyridin-3-yl)methyl]amine

SMILES

Cc1c(CNCc2cccnc2)c(C)nn1-c1ccccc1

InChI

InChI=1S/C18H20N4/c1-14-18(13-20-12-16-7-6-10-19-11-16)15(2)22(21-14)17-8-4-3-5-9-17/h3-11,20H,12-13H2,1-2H3

InChI Key

RAPFLTSIEOOOMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27544643

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

292.38

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.926

Distribution Coefficient, logD

-0.646

Water Solubility, LogSw

-1.15

Polar Surface Area

35.940

Acid Dissociation Constant (pKa)

22.68

Base Dissociation Constant (pKb)

9.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.22

M505-0677 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with M505-0677 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M505-0677?
Check Price and Availability of M505-0677, 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 M505-0677 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M505-0677
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M505-0677
  • 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 M505-0677 available by request