M505-0681 Screening compound: 1-(4-{[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl]amino}phenyl)-1-ethanone

M505-0681 Screening compound: 1-(4-{[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl]amino}phenyl)-1-ethanone
M505-0681 Screening compound: 1-(4-{[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl]amino}phenyl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound M505-0681
1-(4-{[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl]amino}phenyl)-1-ethanone

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

M505-0681

Molecular Formula

C20H21N3O (C20 H21 N3 O)

Compound Name

1-(4-{[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl]amino}phenyl)-1-ethanone

IUPAC name

1-(4-{[(35-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl]amino}phenyl)ethan-1-one

SMILES

CC(c(cc1)ccc1NCc1c(C)n(-c2ccccc2)nc1C)=O

InChI

InChI=1S/C20H21N3O/c1-14-20(13-21-18-11-9-17(10-12-18)16(3)24)15(2)23(22-14)19-7-5-4-6-8-19/h4-12,21H,13H2,1-3H3

InChI Key

LWUAAAKNLOCFKQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27544644

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.41

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

3.311

Distribution Coefficient, logD

3.311

Water Solubility, LogSw

-3.53

Polar Surface Area

38.718

Acid Dissociation Constant (pKa)

17.75

Base Dissociation Constant (pKb)

1.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

M505-0681 in Drug Discovery

Included in Screening Libraries

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

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with M505-0681 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M505-0681?
Check Price and Availability of M505-0681, 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 M505-0681 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M505-0681
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M505-0681
  • 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 M505-0681 available by request