1287-0076 Screening compound: N-(1,2-dihydroacenaphthylen-5-yl)-2-fluorobenzamide

1287-0076 Screening compound: N-(1,2-dihydroacenaphthylen-5-yl)-2-fluorobenzamide
1287-0076 Screening compound: N-(1,2-dihydroacenaphthylen-5-yl)-2-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1287-0076
N-(1,2-dihydroacenaphthylen-5-yl)-2-fluorobenzamide

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

1287-0076

Molecular Formula

C19H14FNO (C19 H14 FNO)

Compound Name

N-(1,2-dihydroacenaphthylen-5-yl)-2-fluorobenzamide

IUPAC name

N-(12-dihydroacenaphthylen-5-yl)-2-fluorobenzamide

SMILES

O=C(c(cccc1)c1F)Nc1ccc(CC2)c3c2cccc13

InChI

InChI=1S/C19H14FNO/c20-16-7-2-1-5-14(16)19(22)21-17-11-10-13-9-8-12-4-3-6-15(17)18(12)13/h1-7,10-11H,8-9H2,(H,21,22)

InChI Key

ZMTDQSWUBZNTEY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00807793

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.32

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.789

Distribution Coefficient, logD

4.679

Water Solubility, LogSw

-5.20

Polar Surface Area

22.647

Acid Dissociation Constant (pKa)

7.94

Base Dissociation Constant (pKb)

-1.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

1287-0076 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

STING Agonist Library (5895 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1287-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1287-0076?
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What is the minimum amount of 1287-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1287-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1287-0076
  • 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 1287-0076 available by request