Y041-5365 Screening compound: 4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 1-benzenesulfonate

Y041-5365 Screening compound: 4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 1-benzenesulfonate
Y041-5365 Screening compound: 4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 1-benzenesulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-5365
4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 1-benzenesulfonate

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

Y041-5365

Molecular Formula

C18H14O5S (C18 H14 O5 S)

Compound Name

4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 1-benzenesulfonate

IUPAC name

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

SMILES

O=C1Oc(cc(cc2)OS(c3ccccc3)(=O)=O)c2C2=C1CCC2

InChI

InChI=1S/C18H14O5S/c19-18-16-8-4-7-14(16)15-10-9-12(11-17(15)22-18)23-24(20,21)13-5-2-1-3-6-13/h1-3,5-6,9-11H,4,7-8H2

InChI Key

LFUUWLQWQFTJJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03707115

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.148

Distribution Coefficient, logD

3.148

Water Solubility, LogSw

-3.55

Polar Surface Area

57.208

Acid Dissociation Constant (pKa)

24.14

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

Y041-5365 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y041-5365 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-5365?
Check Price and Availability of Y041-5365, 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 Y041-5365 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-5365
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-5365
  • 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 Y041-5365 available by request