D089-0554 Screening compound: 4-[(azepan-1-yl)methyl]-N-(3-chloro-4-methoxyphenyl)-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide

D089-0554 Screening compound: 4-[(azepan-1-yl)methyl]-N-(3-chloro-4-methoxyphenyl)-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide
D089-0554 Screening compound: 4-[(azepan-1-yl)methyl]-N-(3-chloro-4-methoxyphenyl)-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D089-0554
4-[(azepan-1-yl)methyl]-N-(3-chloro-4-methoxyphenyl)-5-hydroxy-2-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

D089-0554

Molecular Formula

C24H27ClN2O4 (C24 H27 ClN2 O4)

Compound Name

4-[(azepan-1-yl)methyl]-N-(3-chloro-4-methoxyphenyl)-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide

IUPAC name

4-[(azepan-1-yl)methyl]-N-(3-chloro-4-methoxyphenyl)-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide

SMILES

Cc1c(C(Nc(cc2)cc(Cl)c2OC)=O)c2c(CN3CCCCCC3)c(O)ccc2o1

InChI

InChI=1S/C24H27ClN2O4/c1-15-22(24(29)26-16-7-9-20(30-2)18(25)13-16)23-17(19(28)8-10-21(23)31-15)14-27-11-5-3-4-6-12-27/h7-10,13,28H,3-6,11-12,14H2,1-2H3,(H,26,29)

InChI Key

CRMXJRFXDUOECF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08143246

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.94

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.219

Distribution Coefficient, logD

4.340

Water Solubility, LogSw

-5.49

Polar Surface Area

59.519

Acid Dissociation Constant (pKa)

10.10

Base Dissociation Constant (pKb)

8.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

D089-0554 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D089-0554 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D089-0554?
Check Price and Availability of D089-0554, 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 D089-0554 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D089-0554
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D089-0554
  • 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 D089-0554 available by request