1680-0084 Screening compound: N-(1,2-dihydroacenaphthylen-5-yl)-4-ethoxybenzamide

1680-0084 Screening compound: N-(1,2-dihydroacenaphthylen-5-yl)-4-ethoxybenzamide
1680-0084 Screening compound: N-(1,2-dihydroacenaphthylen-5-yl)-4-ethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1680-0084
N-(1,2-dihydroacenaphthylen-5-yl)-4-ethoxybenzamide

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

1680-0084

Molecular Formula

C21H19NO2 (C21 H19 NO2)

Compound Name

N-(1,2-dihydroacenaphthylen-5-yl)-4-ethoxybenzamide

IUPAC name

N-(12-dihydroacenaphthylen-5-yl)-4-ethoxybenzamide

SMILES

CCOc(cc1)ccc1C(Nc1ccc(CC2)c3c2cccc13)=O

InChI

InChI=1S/C21H19NO2/c1-2-24-17-11-8-16(9-12-17)21(23)22-19-13-10-15-7-6-14-4-3-5-18(19)20(14)15/h3-5,8-13H,2,6-7H2,1H3,(H,22,23)

InChI Key

IPYVSPHSPWTPNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01032766

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.39

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.175

Distribution Coefficient, logD

5.168

Water Solubility, LogSw

-5.45

Polar Surface Area

29.770

Acid Dissociation Constant (pKa)

9.19

Base Dissociation Constant (pKb)

-1.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

1680-0084 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1680-0084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1680-0084?
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What is the minimum amount of 1680-0084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1680-0084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1680-0084
  • 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 1680-0084 available by request