4182-0747 Screening compound: 6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl methanesulfonate

4182-0747 Screening compound: 6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl methanesulfonate
4182-0747 Screening compound: 6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl methanesulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4182-0747
6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl methanesulfonate

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

4182-0747

Molecular Formula

C14H14O5S (C14 H14 O5 S)

Compound Name

6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl methanesulfonate

IUPAC name

6-oxo-6H7H8H9H10H-cyclohexa[c]chromen-3-yl methanesulfonate

SMILES

CS(Oc(cc1)cc(O2)c1C(CCCC1)=C1C2=O)(=O)=O

InChI

InChI=1S/C14H14O5S/c1-20(16,17)19-9-6-7-11-10-4-2-3-5-12(10)14(15)18-13(11)8-9/h6-8H,2-5H2,1H3

InChI Key

OEQGPFQAHSUQDI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02331282

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.33

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.493

Distribution Coefficient, logD

2.493

Water Solubility, LogSw

-2.90

Polar Surface Area

57.230

Acid Dissociation Constant (pKa)

23.98

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

4182-0747 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 4182-0747 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4182-0747?
Check Price and Availability of 4182-0747, 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 4182-0747 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4182-0747
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4182-0747
  • 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 4182-0747 available by request