2712-4080 Screening compound: 4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl 2-(4-bromophenoxy)acetate

2712-4080 Screening compound: 4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl 2-(4-bromophenoxy)acetate
2712-4080 Screening compound: 4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl 2-(4-bromophenoxy)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2712-4080
4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl 2-(4-bromophenoxy)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

2712-4080

Molecular Formula

C20H15BrO5 (C20 H15 BrO5)

Compound Name

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

IUPAC name

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

SMILES

O=C(COc(cc1)ccc1Br)Oc(cc1)cc(O2)c1C(CCC1)=C1C2=O

InChI

InChI=1S/C20H15BrO5/c21-12-4-6-13(7-5-12)24-11-19(22)25-14-8-9-16-15-2-1-3-17(15)20(23)26-18(16)10-14/h4-10H,1-3,11H2

InChI Key

XSBXAFLQFGTWSB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01847918

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.24

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

3.995

Distribution Coefficient, logD

3.995

Water Solubility, LogSw

-4.27

Polar Surface Area

48.729

Acid Dissociation Constant (pKa)

22.88

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

2712-4080 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Autophagy-Targeted Library (4564 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 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
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2712-4080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2712-4080?
Check Price and Availability of 2712-4080, 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 2712-4080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2712-4080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2712-4080
  • 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 2712-4080 available by request