2712-4055 Screening compound: 4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl butanoate

2712-4055 Screening compound: 4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl butanoate
2712-4055 Screening compound: 4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2712-4055
4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl butanoate

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

2712-4055

Molecular Formula

C16H16O4 (C16 H16 O4)

Compound Name

4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl butanoate

IUPAC name

4-oxo-1H2H3H4H-cyclopenta[c]chromen-7-yl butanoate

SMILES

CCCC(Oc(cc1)cc(O2)c1C(CCC1)=C1C2=O)=O

InChI

InChI=1S/C16H16O4/c1-2-4-15(17)19-10-7-8-12-11-5-3-6-13(11)16(18)20-14(12)9-10/h7-9H,2-6H2,1H3

InChI Key

AULMUWDGFUGITP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01847907

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

272.3

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

3.038

Distribution Coefficient, logD

3.038

Water Solubility, LogSw

-3.25

Polar Surface Area

41.501

Acid Dissociation Constant (pKa)

22.49

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with 2712-4055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2712-4055?
Check Price and Availability of 2712-4055, 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 2712-4055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2712-4055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2712-4055
  • 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 2712-4055 available by request