M111-1094 Screening compound: 4-tert-butyl-N-(cyclopropylmethyl)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]benzamide

M111-1094 Screening compound: 4-tert-butyl-N-(cyclopropylmethyl)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]benzamide
M111-1094 Screening compound: 4-tert-butyl-N-(cyclopropylmethyl)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M111-1094
4-tert-butyl-N-(cyclopropylmethyl)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]benzamide

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

M111-1094

Molecular Formula

C23H33N3O (C23 H33 N3 O)

Compound Name

4-tert-butyl-N-(cyclopropylmethyl)-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]benzamide

IUPAC name

4-tert-butyl-N-(cyclopropylmethyl)-N-[(1-ethyl-35-dimethyl-1H-pyrazol-4-yl)methyl]benzamide

SMILES

CCn1nc(C)c(CN(CC2CC2)C(c2ccc(C(C)(C)C)cc2)=O)c1C

InChI

InChI=1S/C23H33N3O/c1-7-26-17(3)21(16(2)24-26)15-25(14-18-8-9-18)22(27)19-10-12-20(13-11-19)23(4,5)6/h10-13,18H,7-9,14-15H2,1-6H3

InChI Key

XXHABKVUXOXDHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15141050

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.53

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

4.556

Distribution Coefficient, logD

4.556

Water Solubility, LogSw

-4.32

Polar Surface Area

30.979

Acid Dissociation Constant (pKa)

23.35

Base Dissociation Constant (pKb)

1.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.50

References: we are preparing a list of scientific research reports with M111-1094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M111-1094?
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What is the minimum amount of M111-1094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M111-1094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M111-1094
  • 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 M111-1094 available by request