2198-3950 Screening compound: 4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl acetate

2198-3950 Screening compound: 4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl acetate
2198-3950 Screening compound: 4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2198-3950
4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-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

2198-3950

Molecular Formula

C14H12O4 (C14 H12 O4)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C14H12O4/c1-8(15)17-9-5-6-11-10-3-2-4-12(10)14(16)18-13(11)7-9/h5-7H,2-4H2,1H3

InChI Key

IMGBRUFRLUUMEW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00442786

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

244.25

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.835

Distribution Coefficient, logD

1.835

Water Solubility, LogSw

-2.44

Polar Surface Area

42.198

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

2198-3950 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 2198-3950 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2198-3950?
Check Price and Availability of 2198-3950, 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 2198-3950 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2198-3950
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2198-3950
  • 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 2198-3950 available by request