J079-0750 Screening compound: 4-[(azepan-1-yl)methyl]-5,7-dimethyl-2H-chromen-2-one

J079-0750 Screening compound: 4-[(azepan-1-yl)methyl]-5,7-dimethyl-2H-chromen-2-one
J079-0750 Screening compound: 4-[(azepan-1-yl)methyl]-5,7-dimethyl-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J079-0750
4-[(azepan-1-yl)methyl]-5,7-dimethyl-2H-chromen-2-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

J079-0750

Molecular Formula

C18H23NO2 (C18 H23 NO2)

Compound Name

4-[(azepan-1-yl)methyl]-5,7-dimethyl-2H-chromen-2-one

IUPAC name

4-[(azepan-1-yl)methyl]-57-dimethyl-2H-chromen-2-one

SMILES

Cc(cc1C)cc(O2)c1C(CN1CCCCCC1)=CC2=O

InChI

InChI=1S/C18H23NO2/c1-13-9-14(2)18-15(11-17(20)21-16(18)10-13)12-19-7-5-3-4-6-8-19/h9-11H,3-8,12H2,1-2H3

InChI Key

YYMAJFGRBBOZPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09779934

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

285.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.798

Distribution Coefficient, logD

2.922

Water Solubility, LogSw

-3.98

Polar Surface Area

24.709

Acid Dissociation Constant (pKa)

27.45

Base Dissociation Constant (pKb)

8.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

J079-0750 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with J079-0750 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J079-0750?
Check Price and Availability of J079-0750, 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 J079-0750 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J079-0750
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J079-0750
  • 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 J079-0750 available by request