M111-0357 Screening compound: (2E)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-phenyl-N-propylprop-2-enamide

M111-0357 Screening compound: (2E)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-phenyl-N-propylprop-2-enamide
M111-0357 Screening compound: (2E)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-phenyl-N-propylprop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M111-0357
(2E)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-phenyl-N-propylprop-2-enamide

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

M111-0357

Molecular Formula

C20H27N3O (C20 H27 N3 O)

Compound Name

(2E)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-phenyl-N-propylprop-2-enamide

IUPAC name

(2E)-N-[(1-ethyl-35-dimethyl-1H-pyrazol-4-yl)methyl]-3-phenyl-N-propylprop-2-enamide

SMILES

CCCN(Cc1c(C)n(CC)nc1C)C(/C=C/c1ccccc1)=O

InChI

InChI=1S/C20H27N3O/c1-5-14-22(15-19-16(3)21-23(6-2)17(19)4)20(24)13-12-18-10-8-7-9-11-18/h7-13H,5-6,14-15H2,1-4H3

InChI Key

UMJSFEDPAGTDCJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15141028

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.45

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.347

Distribution Coefficient, logD

3.346

Water Solubility, LogSw

-3.45

Polar Surface Area

30.179

Acid Dissociation Constant (pKa)

23.57

Base Dissociation Constant (pKb)

4.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

M111-0357 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M111-0357 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M111-0357?
Check Price and Availability of M111-0357, 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 M111-0357 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M111-0357
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M111-0357
  • 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 M111-0357 available by request