D264-0578 Screening compound: 1-({1-[(4-chlorophenyl)methyl]piperidin-4-yl}methyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea

D264-0578 Screening compound: 1-({1-[(4-chlorophenyl)methyl]piperidin-4-yl}methyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea
D264-0578 Screening compound: 1-({1-[(4-chlorophenyl)methyl]piperidin-4-yl}methyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D264-0578
1-({1-[(4-chlorophenyl)methyl]piperidin-4-yl}methyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)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

D264-0578

Molecular Formula

C22H26ClN3O3 (C22 H26 ClN3 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(NCC1CCN(Cc(cc2)ccc2Cl)CC1)Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C22H26ClN3O3/c23-18-3-1-17(2-4-18)15-26-9-7-16(8-10-26)14-24-22(27)25-19-5-6-20-21(13-19)29-12-11-28-20/h1-6,13,16H,7-12,14-15H2,(H2,24,25,27)

InChI Key

BOQFQBIHWCRSCV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14815864

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.92

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

3.371

Distribution Coefficient, logD

1.734

Water Solubility, LogSw

-3.78

Polar Surface Area

53.419

Acid Dissociation Constant (pKa)

12.51

Base Dissociation Constant (pKb)

9.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

D264-0578 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D264-0578 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D264-0578?
Check Price and Availability of D264-0578, 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 D264-0578 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D264-0578
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D264-0578
  • 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 D264-0578 available by request