5694-0054 Screening compound: 4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl 2-(2-bromo-4-methylphenoxy)acetate

5694-0054 Screening compound: 4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl 2-(2-bromo-4-methylphenoxy)acetate
5694-0054 Screening compound: 4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl 2-(2-bromo-4-methylphenoxy)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5694-0054
4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl 2-(2-bromo-4-methylphenoxy)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

5694-0054

Molecular Formula

C21H17BrO5 (C21 H17 BrO5)

Compound Name

4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl 2-(2-bromo-4-methylphenoxy)acetate

IUPAC name

4-oxo-1H2H3H4H-cyclopenta[c]chromen-7-yl 2-(2-bromo-4-methylphenoxy)acetate

SMILES

Cc(cc1)cc(Br)c1OCC(Oc(cc1)cc(O2)c1C(CCC1)=C1C2=O)=O

InChI

InChI=1S/C21H17BrO5/c1-12-5-8-18(17(22)9-12)25-11-20(23)26-13-6-7-15-14-3-2-4-16(14)21(24)27-19(15)10-13/h5-10H,2-4,11H2,1H3

InChI Key

MEXJRIAZLMITHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01530523

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.27

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.180

Distribution Coefficient, logD

4.180

Water Solubility, LogSw

-4.39

Polar Surface Area

48.815

Acid Dissociation Constant (pKa)

23.27

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

5694-0054 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Autophagy-Targeted Library (4564 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Others
  • GPCR
Mechanism of action:
  • Epigenetic
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 5694-0054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5694-0054?
Check Price and Availability of 5694-0054, 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 5694-0054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5694-0054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5694-0054
  • 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 5694-0054 available by request