Y040-0457 Screening compound: 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl cyclohexanecarboxylate

Y040-0457 Screening compound: 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl cyclohexanecarboxylate
Y040-0457 Screening compound: 6-chloro-4-methyl-2-oxo-2H-chromen-7-yl cyclohexanecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-0457
6-chloro-4-methyl-2-oxo-2H-chromen-7-yl cyclohexanecarboxylate

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

Y040-0457

Molecular Formula

C17H17ClO4 (C17 H17 ClO4)

Compound Name

6-chloro-4-methyl-2-oxo-2H-chromen-7-yl cyclohexanecarboxylate

IUPAC name

6-chloro-4-methyl-2-oxo-2H-chromen-7-yl cyclohexanecarboxylate

SMILES

CC(c(c(O1)c2)cc(Cl)c2OC(C2CCCCC2)=O)=CC1=O

InChI

InChI=1S/C17H17ClO4/c1-10-7-16(19)21-14-9-15(13(18)8-12(10)14)22-17(20)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3

InChI Key

VHGAVXIBDQOUDE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03029950

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.77

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.179

Distribution Coefficient, logD

4.179

Water Solubility, LogSw

-4.54

Polar Surface Area

41.302

Acid Dissociation Constant (pKa)

21.15

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

References: we are preparing a list of scientific research reports with Y040-0457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-0457?
Check Price and Availability of Y040-0457, 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 Y040-0457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-0457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-0457
  • 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 Y040-0457 available by request