D547-0234 Screening compound: N-butyl-8-methyl-1-benzoxepine-4-carboxamide

D547-0234 Screening compound: N-butyl-8-methyl-1-benzoxepine-4-carboxamide
D547-0234 Screening compound: N-butyl-8-methyl-1-benzoxepine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D547-0234
N-butyl-8-methyl-1-benzoxepine-4-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

D547-0234

Molecular Formula

C16H19NO2 (C16 H19 NO2)

Compound Name

N-butyl-8-methyl-1-benzoxepine-4-carboxamide

IUPAC name

N-butyl-8-methyl-1-benzoxepine-4-carboxamide

SMILES

CCCCNC(C1=Cc(ccc(C)c2)c2OC=C1)=O

InChI

InChI=1S/C16H19NO2/c1-3-4-8-17-16(18)14-7-9-19-15-10-12(2)5-6-13(15)11-14/h5-7,9-11H,3-4,8H2,1-2H3,(H,17,18)

InChI Key

CAHNOYYYSJPUHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12967637

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

257.33

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.152

Distribution Coefficient, logD

4.152

Water Solubility, LogSw

-4.12

Polar Surface Area

30.389

Acid Dissociation Constant (pKa)

14.69

Base Dissociation Constant (pKb)

2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

D547-0234 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Aging Library (44940 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D547-0234 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D547-0234?
Check Price and Availability of D547-0234, 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 D547-0234 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D547-0234
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D547-0234
  • 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 D547-0234 available by request