D089-0326 Screening compound: N-benzyl-5-hydroxy-2-methyl-4-[(3-methylpiperidin-1-yl)methyl]-1-benzofuran-3-carboxamide

D089-0326 Screening compound: N-benzyl-5-hydroxy-2-methyl-4-[(3-methylpiperidin-1-yl)methyl]-1-benzofuran-3-carboxamide
D089-0326 Screening compound: N-benzyl-5-hydroxy-2-methyl-4-[(3-methylpiperidin-1-yl)methyl]-1-benzofuran-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D089-0326
N-benzyl-5-hydroxy-2-methyl-4-[(3-methylpiperidin-1-yl)methyl]-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

D089-0326

Molecular Formula

C24H28N2O3 (C24 H28 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

CC1CN(Cc2c3c(C(NCc4ccccc4)=O)c(C)oc3ccc2O)CCC1

InChI

InChI=1S/C24H28N2O3/c1-16-7-6-12-26(14-16)15-19-20(27)10-11-21-23(19)22(17(2)29-21)24(28)25-13-18-8-4-3-5-9-18/h3-5,8-11,16,27H,6-7,12-15H2,1-2H3,(H,25,28)/t16-/m0/s1

InChI Key

ZCZRACPSXMOSGE-INIZCTEOSA-N

MDL Number (MFCD)

MFCD08143179

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.5

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

4.014

Distribution Coefficient, logD

3.134

Water Solubility, LogSw

-4.17

Polar Surface Area

52.813

Acid Dissociation Constant (pKa)

10.10

Base Dissociation Constant (pKb)

8.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

D089-0326 in Drug Discovery

Included in Screening Libraries

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 D089-0326 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D089-0326?
Check Price and Availability of D089-0326, 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 D089-0326 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D089-0326
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D089-0326
  • 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 D089-0326 available by request