1176-0006 Screening compound: 2-(1,2-dihydroacenaphthylen-5-yl)acetic acid

1176-0006 Screening compound: 2-(1,2-dihydroacenaphthylen-5-yl)acetic acid
1176-0006 Screening compound: 2-(1,2-dihydroacenaphthylen-5-yl)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1176-0006
2-(1,2-dihydroacenaphthylen-5-yl)acetic acid

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

1176-0006

Molecular Formula

C14H12O2 (C14 H12 O2)

Compound Name

2-(1,2-dihydroacenaphthylen-5-yl)acetic acid

IUPAC name

2-(12-dihydroacenaphthylen-5-yl)acetic acid

SMILES

OC(Cc1ccc(CC2)c3c2cccc13)=O

InChI

InChI=1S/C14H12O2/c15-13(16)8-11-7-6-10-5-4-9-2-1-3-12(11)14(9)10/h1-3,6-7H,4-5,8H2,(H,15,16)

InChI Key

SDZPEUVJBKVXJD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00223232

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

212.25

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.626

Distribution Coefficient, logD

0.032

Water Solubility, LogSw

-4.03

Polar Surface Area

28.637

Acid Dissociation Constant (pKa)

3.81

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

1176-0006 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 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:
  • Fragments
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 1176-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1176-0006?
Check Price and Availability of 1176-0006, 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 1176-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1176-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1176-0006
  • 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 1176-0006 available by request