4593-1612 Screening compound: 2-methylpropyl 2-{[3-(4-chloro-3,5-dimethylphenoxy)-4-oxo-4H-chromen-7-yl]oxy}propanoate

4593-1612 Screening compound: 2-methylpropyl 2-{[3-(4-chloro-3,5-dimethylphenoxy)-4-oxo-4H-chromen-7-yl]oxy}propanoate
4593-1612 Screening compound: 2-methylpropyl 2-{[3-(4-chloro-3,5-dimethylphenoxy)-4-oxo-4H-chromen-7-yl]oxy}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4593-1612
2-methylpropyl 2-{[3-(4-chloro-3,5-dimethylphenoxy)-4-oxo-4H-chromen-7-yl]oxy}propanoate

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

4593-1612

Molecular Formula

C24H25ClO6 (C24 H25 ClO6)

Compound Name

2-methylpropyl 2-{[3-(4-chloro-3,5-dimethylphenoxy)-4-oxo-4H-chromen-7-yl]oxy}propanoate

IUPAC name

2-methylpropyl 2-{[3-(4-chloro-35-dimethylphenoxy)-4-oxo-4H-chromen-7-yl]oxy}propanoate

SMILES

CC(C)COC(C(C)Oc(cc1)cc(OC=C2Oc(cc3C)cc(C)c3Cl)c1C2=O)=O

InChI

InChI=1S/C24H25ClO6/c1-13(2)11-29-24(27)16(5)30-17-6-7-19-20(10-17)28-12-21(23(19)26)31-18-8-14(3)22(25)15(4)9-18/h6-10,12-13,16H,11H2,1-5H3/t16-/m0/s1

InChI Key

YPILLHZYTDZBQN-INIZCTEOSA-N

MDL Number (MFCD)

MFCD02957679

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.91

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.869

Distribution Coefficient, logD

5.869

Water Solubility, LogSw

-6.17

Polar Surface Area

55.488

Acid Dissociation Constant (pKa)

22.48

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 4593-1612 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4593-1612?
Check Price and Availability of 4593-1612, 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 4593-1612 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4593-1612
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4593-1612
  • 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 4593-1612 available by request