D174-0399 Screening compound: 5-bromo-N-[2-(4-methoxyphenyl)-2-(piperidin-1-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide

D174-0399 Screening compound: 5-bromo-N-[2-(4-methoxyphenyl)-2-(piperidin-1-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide
D174-0399 Screening compound: 5-bromo-N-[2-(4-methoxyphenyl)-2-(piperidin-1-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D174-0399
5-bromo-N-[2-(4-methoxyphenyl)-2-(piperidin-1-yl)ethyl]-3-methyl-1-benzofuran-2-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

D174-0399

Molecular Formula

C24H27BrN2O3 (C24 H27 BrN2 O3)

Compound Name

5-bromo-N-[2-(4-methoxyphenyl)-2-(piperidin-1-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide

IUPAC name

5-bromo-N-[2-(4-methoxyphenyl)-2-(piperidin-1-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide

SMILES

Cc1c(C(NCC(c(cc2)ccc2OC)N2CCCCC2)=O)oc(cc2)c1cc2Br

InChI

InChI=1S/C24H27BrN2O3/c1-16-20-14-18(25)8-11-22(20)30-23(16)24(28)26-15-21(27-12-4-3-5-13-27)17-6-9-19(29-2)10-7-17/h6-11,14,21H,3-5,12-13,15H2,1-2H3,(H,26,28)/t21-/m0/s1

InChI Key

JUJOIIRNEAIGDF-NRFANRHFSA-N

MDL Number (MFCD)

MFCD06376291

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.231

Distribution Coefficient, logD

4.983

Water Solubility, LogSw

-5.11

Polar Surface Area

43.711

Acid Dissociation Constant (pKa)

11.47

Base Dissociation Constant (pKb)

7.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

D174-0399 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

CNS Targets (44014 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with D174-0399 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D174-0399?
Check Price and Availability of D174-0399, 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 D174-0399 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D174-0399
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D174-0399
  • 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 D174-0399 available by request