R033-0013 Screening compound: (1,2-dihydroacenaphthylen-5-yl)(phenyl)methanone

R033-0013 Screening compound: (1,2-dihydroacenaphthylen-5-yl)(phenyl)methanone
R033-0013 Screening compound: (1,2-dihydroacenaphthylen-5-yl)(phenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound R033-0013
(1,2-dihydroacenaphthylen-5-yl)(phenyl)methanone

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

R033-0013

Molecular Formula

C19H14O (C19 H14 O)

Compound Name

(1,2-dihydroacenaphthylen-5-yl)(phenyl)methanone

IUPAC name

(12-dihydroacenaphthylen-5-yl)(phenyl)methanone

SMILES

O=C(c1ccccc1)c1ccc(CC2)c3c2cccc13

InChI

InChI=1S/C19H14O/c20-19(15-5-2-1-3-6-15)17-12-11-14-10-9-13-7-4-8-16(17)18(13)14/h1-8,11-12H,9-10H2

InChI Key

YQRRSORFUCNQAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00221796

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

258.32

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

5.269

Distribution Coefficient, logD

5.269

Water Solubility, LogSw

-5.91

Polar Surface Area

13.720

Acid Dissociation Constant (pKa)

26.84

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

R033-0013 in Drug Discovery

Included in Screening Libraries

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

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with R033-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R033-0013?
Check Price and Availability of R033-0013, 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 R033-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R033-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R033-0013
  • 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 R033-0013 available by request