2786-4513 Screening compound: 4-(naphthalen-2-yl)-1H,2H,3H,4H-benzo[h]quinolin-2-one

2786-4513 Screening compound: 4-(naphthalen-2-yl)-1H,2H,3H,4H-benzo[h]quinolin-2-one
2786-4513 Screening compound: 4-(naphthalen-2-yl)-1H,2H,3H,4H-benzo[h]quinolin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2786-4513
4-(naphthalen-2-yl)-1H,2H,3H,4H-benzo[h]quinolin-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

2786-4513

Molecular Formula

C23H17NO (C23 H17 NO)

Compound Name

4-(naphthalen-2-yl)-1H,2H,3H,4H-benzo[h]quinolin-2-one

IUPAC name

4-(naphthalen-2-yl)-1H2H3H4H-benzo[h]quinolin-2-one

SMILES

O=C(CC1c2cc3ccccc3cc2)Nc2c1ccc1ccccc12

InChI

InChI=1S/C23H17NO/c25-22-14-21(18-10-9-15-5-1-2-7-17(15)13-18)20-12-11-16-6-3-4-8-19(16)23(20)24-22/h1-13,21H,14H2,(H,24,25)/t21-/m1/s1

InChI Key

FDNQRHOUNVEXGA-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD01823644

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.39

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.131

Distribution Coefficient, logD

5.131

Water Solubility, LogSw

-6.39

Polar Surface Area

21.993

Acid Dissociation Constant (pKa)

11.71

Base Dissociation Constant (pKb)

-1.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.70

2786-4513 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 2786-4513 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2786-4513?
Check Price and Availability of 2786-4513, 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 2786-4513 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2786-4513
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2786-4513
  • 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 2786-4513 available by request