CM2346-1164 Screening compound: 1-[(3-fluorophenyl)methyl]-3-{[2-(propan-2-yl)-2-azaspiro[4.5]decan-4-yl]methyl}urea

CM2346-1164 Screening compound: 1-[(3-fluorophenyl)methyl]-3-{[2-(propan-2-yl)-2-azaspiro[4.5]decan-4-yl]methyl}urea
CM2346-1164 Screening compound: 1-[(3-fluorophenyl)methyl]-3-{[2-(propan-2-yl)-2-azaspiro[4.5]decan-4-yl]methyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound CM2346-1164
1-[(3-fluorophenyl)methyl]-3-{[2-(propan-2-yl)-2-azaspiro[4.5]decan-4-yl]methyl}urea

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

CM2346-1164

Molecular Formula

C21H32FN3O (C21 H32 FN3 O)

Compound Name

1-[(3-fluorophenyl)methyl]-3-{[2-(propan-2-yl)-2-azaspiro[4.5]decan-4-yl]methyl}urea

IUPAC name

1-[(3-fluorophenyl)methyl]-3-{[2-(propan-2-yl)-2-azaspiro[4.5]decan-4-yl]methyl}urea

SMILES

CC(C)N1CC2(CCCCC2)C(CNC(NCc2cccc(F)c2)=O)C1

InChI

InChI=1S/C21H32FN3O/c1-16(2)25-14-18(21(15-25)9-4-3-5-10-21)13-24-20(26)23-12-17-7-6-8-19(22)11-17/h6-8,11,16,18H,3-5,9-10,12-15H2,1-2H3,(H2,23,24,26)/t18-/m0/s1

InChI Key

DBVVLMODCBZUAZ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD30458587

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.5

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.321

Distribution Coefficient, logD

-1.119

Water Solubility, LogSw

-3.45

Polar Surface Area

39.395

Acid Dissociation Constant (pKa)

14.30

Base Dissociation Constant (pKb)

11.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

CM2346-1164 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetics of Beta-Turn Motifs Library (2153 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with CM2346-1164 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM2346-1164?
Check Price and Availability of CM2346-1164, 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 CM2346-1164 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM2346-1164
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM2346-1164
  • 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 CM2346-1164 available by request