8011-2396 Screening compound: ethyl 1-{[6-bromo-3-(ethoxycarbonyl)-5-methoxy-1-benzofuran-2-yl]methyl}-4-phenyl-4-piperidinecarboxylate

8011-2396 Screening compound: ethyl 1-{[6-bromo-3-(ethoxycarbonyl)-5-methoxy-1-benzofuran-2-yl]methyl}-4-phenyl-4-piperidinecarboxylate
8011-2396 Screening compound: ethyl 1-{[6-bromo-3-(ethoxycarbonyl)-5-methoxy-1-benzofuran-2-yl]methyl}-4-phenyl-4-piperidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-2396
ethyl 1-{[6-bromo-3-(ethoxycarbonyl)-5-methoxy-1-benzofuran-2-yl]methyl}-4-phenyl-4-piperidinecarboxylate

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

8011-2396

Molecular Formula

C27H30BrNO6 (C27 H30 BrNO6)

Compound Name

ethyl 1-{[6-bromo-3-(ethoxycarbonyl)-5-methoxy-1-benzofuran-2-yl]methyl}-4-phenyl-4-piperidinecarboxylate

IUPAC name

ethyl 1-{[6-bromo-3-(ethoxycarbonyl)-5-methoxy-1-benzofuran-2-yl]methyl}-4-phenylpiperidine-4-carboxylate

SMILES

CCOC(C1(CCN(Cc(oc2c3)c(C(OCC)=O)c2cc(OC)c3Br)CC1)c1ccccc1)=O

InChI

InChI=1S/C27H30BrNO6/c1-4-33-25(30)24-19-15-22(32-3)20(28)16-21(19)35-23(24)17-29-13-11-27(12-14-29,26(31)34-5-2)18-9-7-6-8-10-18/h6-10,15-16H,4-5,11-14,17H2,1-3H3

InChI Key

MIJHURZOAFQRHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01578627

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

544.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.639

Distribution Coefficient, logD

3.310

Water Solubility, LogSw

-5.60

Polar Surface Area

60.534

Acid Dissociation Constant (pKa)

26.35

Base Dissociation Constant (pKb)

9.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.74

8011-2396 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 8011-2396 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-2396?
Check Price and Availability of 8011-2396, 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 8011-2396 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-2396
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-2396
  • 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 8011-2396 available by request