C270-0834 Screening compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)urea

C270-0834 Screening compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)urea
C270-0834 Screening compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound C270-0834
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-({1-[(2-fluorophenyl)methyl]piperidin-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

C270-0834

Molecular Formula

C22H26FN3O3 (C22 H26 FN3 O3)

Compound Name

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)urea

IUPAC name

1-(23-dihydro-14-benzodioxin-6-yl)-3-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)urea

SMILES

O=C(NCC1CCN(Cc(cccc2)c2F)CC1)Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C22H26FN3O3/c23-19-4-2-1-3-17(19)15-26-9-7-16(8-10-26)14-24-22(27)25-18-5-6-20-21(13-18)29-12-11-28-20/h1-6,13,16H,7-12,14-15H2,(H2,24,25,27)

InChI Key

BTUYSLSGDRFFTK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14740012

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.070

Distribution Coefficient, logD

1.281

Water Solubility, LogSw

-3.29

Polar Surface Area

53.419

Acid Dissociation Constant (pKa)

12.51

Base Dissociation Constant (pKb)

9.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

C270-0834 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C270-0834 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C270-0834?
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What is the minimum amount of C270-0834 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C270-0834
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C270-0834
  • 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 C270-0834 available by request