D089-0350 Screening compound: 5-hydroxy-2-methyl-4-[(4-methylpiperidin-1-yl)methyl]-N-[3-(trifluoromethyl)phenyl]-1-benzofuran-3-carboxamide

D089-0350 Screening compound: 5-hydroxy-2-methyl-4-[(4-methylpiperidin-1-yl)methyl]-N-[3-(trifluoromethyl)phenyl]-1-benzofuran-3-carboxamide
D089-0350 Screening compound: 5-hydroxy-2-methyl-4-[(4-methylpiperidin-1-yl)methyl]-N-[3-(trifluoromethyl)phenyl]-1-benzofuran-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D089-0350
5-hydroxy-2-methyl-4-[(4-methylpiperidin-1-yl)methyl]-N-[3-(trifluoromethyl)phenyl]-1-benzofuran-3-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

D089-0350

Molecular Formula

C24H25F3N2O3 (C24 H25 F3 N2 O3)

Compound Name

5-hydroxy-2-methyl-4-[(4-methylpiperidin-1-yl)methyl]-N-[3-(trifluoromethyl)phenyl]-1-benzofuran-3-carboxamide

IUPAC name

5-hydroxy-2-methyl-4-[(4-methylpiperidin-1-yl)methyl]-N-[3-(trifluoromethyl)phenyl]-1-benzofuran-3-carboxamide

SMILES

CC1CCN(Cc2c3c(C(Nc4cccc(C(F)(F)F)c4)=O)c(C)oc3ccc2O)CC1

InChI

InChI=1S/C24H25F3N2O3/c1-14-8-10-29(11-9-14)13-18-19(30)6-7-20-22(18)21(15(2)32-20)23(31)28-17-5-3-4-16(12-17)24(25,26)27/h3-7,12,14,30H,8-11,13H2,1-2H3,(H,28,31)

InChI Key

CSEXFKBCUJAUMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08143187

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.647

Distribution Coefficient, logD

4.861

Water Solubility, LogSw

-5.74

Polar Surface Area

51.558

Acid Dissociation Constant (pKa)

10.10

Base Dissociation Constant (pKb)

8.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

D089-0350 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with D089-0350 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D089-0350?
Check Price and Availability of D089-0350, 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 D089-0350 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D089-0350
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D089-0350
  • 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 D089-0350 available by request