E957-0796 Screening compound: N-(2-{4-[(3-ethoxypropyl)(methyl)amino]piperidine-1-carbonyl}-1-benzofuran-3-yl)cyclohexanecarboxamide

E957-0796 Screening compound: N-(2-{4-[(3-ethoxypropyl)(methyl)amino]piperidine-1-carbonyl}-1-benzofuran-3-yl)cyclohexanecarboxamide
E957-0796 Screening compound: N-(2-{4-[(3-ethoxypropyl)(methyl)amino]piperidine-1-carbonyl}-1-benzofuran-3-yl)cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E957-0796
N-(2-{4-[(3-ethoxypropyl)(methyl)amino]piperidine-1-carbonyl}-1-benzofuran-3-yl)cyclohexanecarboxamide

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

E957-0796

Molecular Formula

C27H39N3O4 (C27 H39 N3 O4)

Compound Name

N-(2-{4-[(3-ethoxypropyl)(methyl)amino]piperidine-1-carbonyl}-1-benzofuran-3-yl)cyclohexanecarboxamide

IUPAC name

N-(2-{4-[(3-ethoxypropyl)(methyl)amino]piperidine-1-carbonyl}-1-benzofuran-3-yl)cyclohexanecarboxamide

SMILES

CCOCCCN(C)C(CC1)CCN1C(c(oc1c2cccc1)c2NC(C1CCCCC1)=O)=O

InChI

InChI=1S/C27H39N3O4/c1-3-33-19-9-16-29(2)21-14-17-30(18-15-21)27(32)25-24(22-12-7-8-13-23(22)34-25)28-26(31)20-10-5-4-6-11-20/h7-8,12-13,20-21H,3-6,9-11,14-19H2,1-2H3,(H,28,31)

InChI Key

VJPCPSYMBLRDMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14932065

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.876

Distribution Coefficient, logD

0.868

Water Solubility, LogSw

-3.80

Polar Surface Area

58.123

Acid Dissociation Constant (pKa)

8.04

Base Dissociation Constant (pKb)

10.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.00

E957-0796 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with E957-0796 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E957-0796?
Check Price and Availability of E957-0796, 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 E957-0796 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E957-0796
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E957-0796
  • 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 E957-0796 available by request