8011-8193 Screening compound: 3-(azepan-1-yl)-1-(4-propoxyphenyl)propan-1-one

8011-8193 Screening compound: 3-(azepan-1-yl)-1-(4-propoxyphenyl)propan-1-one
8011-8193 Screening compound: 3-(azepan-1-yl)-1-(4-propoxyphenyl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-8193
3-(azepan-1-yl)-1-(4-propoxyphenyl)propan-1-one

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

8011-8193

Molecular Formula

C18H27NO2 (C18 H27 NO2)

Compound Name

3-(azepan-1-yl)-1-(4-propoxyphenyl)propan-1-one

IUPAC name

3-(azepan-1-yl)-1-(4-propoxyphenyl)propan-1-one

SMILES

CCCOc(cc1)ccc1C(CCN1CCCCCC1)=O

InChI

InChI=1S/C18H27NO2/c1-2-15-21-17-9-7-16(8-10-17)18(20)11-14-19-12-5-3-4-6-13-19/h7-10H,2-6,11-15H2,1H3

InChI Key

XJLSIHLNCRSPKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00699393

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

289.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.059

Distribution Coefficient, logD

3.257

Water Solubility, LogSw

-3.88

Polar Surface Area

24.945

Acid Dissociation Constant (pKa)

21.19

Base Dissociation Constant (pKb)

8.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.11

8011-8193 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with 8011-8193 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-8193?
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What is the minimum amount of 8011-8193 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-8193
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-8193
  • 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 8011-8193 available by request