M111-0791 Screening compound: N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-isobutyl-1-cyclopentanecarboxamide

M111-0791 Screening compound: N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-isobutyl-1-cyclopentanecarboxamide
M111-0791 Screening compound: N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-isobutyl-1-cyclopentanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M111-0791
N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-isobutyl-1-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

M111-0791

Molecular Formula

C18H31N3O (C18 H31 N3 O)

Compound Name

N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-isobutyl-1-cyclopentanecarboxamide

IUPAC name

N-[(1-ethyl-35-dimethyl-1H-pyrazol-4-yl)methyl]-N-(2-methylpropyl)cyclopentanecarboxamide

SMILES

CCn1nc(C)c(CN(CC(C)C)C(C2CCCC2)=O)c1C

InChI

InChI=1S/C18H31N3O/c1-6-21-15(5)17(14(4)19-21)12-20(11-13(2)3)18(22)16-9-7-8-10-16/h13,16H,6-12H2,1-5H3

InChI Key

RYXSVRKMBQBCFS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15141037

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

305.46

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.280

Distribution Coefficient, logD

3.280

Water Solubility, LogSw

-3.34

Polar Surface Area

31.286

Acid Dissociation Constant (pKa)

22.30

Base Dissociation Constant (pKb)

2.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

77.78

References: we are preparing a list of scientific research reports with M111-0791 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M111-0791?
Check Price and Availability of M111-0791, 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 M111-0791 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M111-0791
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M111-0791
  • 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 M111-0791 available by request