000S-0424 Screening compound: 8-(acetyloxy)pyren-1-yl acetate

000S-0424 Screening compound: 8-(acetyloxy)pyren-1-yl acetate
000S-0424 Screening compound: 8-(acetyloxy)pyren-1-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 000S-0424
8-(acetyloxy)pyren-1-yl acetate

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

000S-0424

Molecular Formula

C20H14O4 (C20 H14 O4)

Compound Name

8-(acetyloxy)pyren-1-yl acetate

IUPAC name

8-(acetyloxy)pyren-1-yl acetate

SMILES

CC(Oc1ccc(ccc2ccc3OC(C)=O)c4c2c3ccc14)=O

InChI

InChI=1S/C20H14O4/c1-11(21)23-17-9-5-13-3-4-14-6-10-18(24-12(2)22)16-8-7-15(17)19(13)20(14)16/h3-10H,1-2H3

InChI Key

WMHOXRSFTJIMTD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00804625

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.395

Distribution Coefficient, logD

4.395

Water Solubility, LogSw

-5.34

Polar Surface Area

41.099

Acid Dissociation Constant (pKa)

22.73

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

000S-0424 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiparasite Library (23996 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
  • Agro
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 000S-0424 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 000S-0424?
Check Price and Availability of 000S-0424, 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 000S-0424 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 000S-0424
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 000S-0424
  • 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 000S-0424 available by request