C378-0357 Screening compound: 3-(azepane-1-carbonyl)-4-(4-methylphenyl)-1H-isochromen-1-one

C378-0357 Screening compound: 3-(azepane-1-carbonyl)-4-(4-methylphenyl)-1H-isochromen-1-one
C378-0357 Screening compound: 3-(azepane-1-carbonyl)-4-(4-methylphenyl)-1H-isochromen-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C378-0357
3-(azepane-1-carbonyl)-4-(4-methylphenyl)-1H-isochromen-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

C378-0357

Molecular Formula

C23H23NO3 (C23 H23 NO3)

Compound Name

3-(azepane-1-carbonyl)-4-(4-methylphenyl)-1H-isochromen-1-one

IUPAC name

3-(azepane-1-carbonyl)-4-(4-methylphenyl)-1H-isochromen-1-one

SMILES

Cc(cc1)ccc1C(c1c2cccc1)=C(C(N1CCCCCC1)=O)OC2=O

InChI

InChI=1S/C23H23NO3/c1-16-10-12-17(13-11-16)20-18-8-4-5-9-19(18)23(26)27-21(20)22(25)24-14-6-2-3-7-15-24/h4-5,8-13H,2-3,6-7,14-15H2,1H3

InChI Key

QAJAKBLGEQSQGC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14754680

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.456

Distribution Coefficient, logD

4.456

Water Solubility, LogSw

-4.39

Polar Surface Area

37.947

Acid Dissociation Constant (pKa)

28.03

Base Dissociation Constant (pKb)

0.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

C378-0357 in Drug Discovery

Included in Screening Libraries

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

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with C378-0357 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C378-0357?
Check Price and Availability of C378-0357, 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 C378-0357 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C378-0357
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C378-0357
  • 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 C378-0357 available by request