8018-3865 Screening compound: 2-(dibenzylamino)-N-(1,2-dihydroacenaphthylen-5-yl)acetamide

8018-3865 Screening compound: 2-(dibenzylamino)-N-(1,2-dihydroacenaphthylen-5-yl)acetamide
8018-3865 Screening compound: 2-(dibenzylamino)-N-(1,2-dihydroacenaphthylen-5-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-3865
2-(dibenzylamino)-N-(1,2-dihydroacenaphthylen-5-yl)acetamide

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

8018-3865

Molecular Formula

C28H26N2O (C28 H26 N2 O)

Compound Name

2-(dibenzylamino)-N-(1,2-dihydroacenaphthylen-5-yl)acetamide

IUPAC name

2-(dibenzylamino)-N-(12-dihydroacenaphthylen-5-yl)acetamide

SMILES

O=C(CN(Cc1ccccc1)Cc1ccccc1)Nc1ccc(CC2)c3c2cccc13

InChI

InChI=1S/C28H26N2O/c31-27(29-26-17-16-24-15-14-23-12-7-13-25(26)28(23)24)20-30(18-21-8-3-1-4-9-21)19-22-10-5-2-6-11-22/h1-13,16-17H,14-15,18-20H2,(H,29,31)

InChI Key

FWRQXVSZLVQWOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07658384

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.53

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.476

Distribution Coefficient, logD

6.430

Water Solubility, LogSw

-6.56

Polar Surface Area

26.145

Acid Dissociation Constant (pKa)

8.35

Base Dissociation Constant (pKb)

4.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

8018-3865 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 8018-3865 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-3865?
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What is the minimum amount of 8018-3865 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-3865
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-3865
  • 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 8018-3865 available by request