C155-0226 Screening compound: N-{1-[4-(2-fluorophenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl}-4-methylcyclohexane-1-carboxamide

C155-0226 Screening compound: N-{1-[4-(2-fluorophenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl}-4-methylcyclohexane-1-carboxamide
C155-0226 Screening compound: N-{1-[4-(2-fluorophenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl}-4-methylcyclohexane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C155-0226
N-{1-[4-(2-fluorophenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl}-4-methylcyclohexane-1-carboxamide

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

C155-0226

Molecular Formula

C23H34FN3O2 (C23 H34 FN3 O2)

Compound Name

N-{1-[4-(2-fluorophenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl}-4-methylcyclohexane-1-carboxamide

IUPAC name

N-{1-[4-(2-fluorophenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl}-4-methylcyclohexane-1-carboxamide

SMILES

CC(C)C(C(N(CC1)CCN1c(cccc1)c1F)=O)NC(C1CCC(C)CC1)=O

InChI

InChI=1S/C23H34FN3O2/c1-16(2)21(25-22(28)18-10-8-17(3)9-11-18)23(29)27-14-12-26(13-15-27)20-7-5-4-6-19(20)24/h4-7,16-18,21H,8-15H2,1-3H3,(H,25,28)/t17?,18?,21-/m0/s1

InChI Key

XLMFUUUIPNURNK-NGICGMGXSA-N

MDL Number (MFCD)

MFCD08685591

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.550

Distribution Coefficient, logD

4.550

Water Solubility, LogSw

-4.10

Polar Surface Area

44.075

Acid Dissociation Constant (pKa)

13.43

Base Dissociation Constant (pKb)

4.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.20

C155-0226 in Drug Discovery

Included in Screening Libraries

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

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

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C155-0226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C155-0226?
Check Price and Availability of C155-0226, 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 C155-0226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C155-0226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C155-0226
  • 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 C155-0226 available by request