D485-0858 Screening compound: N-{2-[(3-chlorophenyl)(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl}benzamide

D485-0858 Screening compound: N-{2-[(3-chlorophenyl)(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl}benzamide
D485-0858 Screening compound: N-{2-[(3-chlorophenyl)(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D485-0858
N-{2-[(3-chlorophenyl)(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl}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

D485-0858

Molecular Formula

C28H27ClN2O2 (C28 H27 ClN2 O2)

Compound Name

N-{2-[(3-chlorophenyl)(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl}benzamide

IUPAC name

N-{2-[(3-chlorophenyl)(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl}benzamide

SMILES

CC(CC1)CCN1C(c(oc1c2cccc1)c2NC(c1ccccc1)=O)c1cccc(Cl)c1

InChI

InChI=1S/C28H27ClN2O2/c1-19-14-16-31(17-15-19)26(21-10-7-11-22(29)18-21)27-25(23-12-5-6-13-24(23)33-27)30-28(32)20-8-3-2-4-9-20/h2-13,18-19,26H,14-17H2,1H3,(H,30,32)/t26-/m1/s1

InChI Key

UAVCASAPIVAOJW-AREMUKBSSA-N

MDL Number (MFCD)

MFCD14832156

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.99

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.332

Distribution Coefficient, logD

6.249

Water Solubility, LogSw

-6.39

Polar Surface Area

33.213

Acid Dissociation Constant (pKa)

10.83

Base Dissociation Constant (pKb)

6.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

D485-0858 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D485-0858 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D485-0858?
Check Price and Availability of D485-0858, 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 D485-0858 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D485-0858
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D485-0858
  • 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 D485-0858 available by request