4358-3533 Screening compound: butyl 3-(2,5-dimethylphenoxy)-4-oxo-4H-chromen-7-yl carbonate

4358-3533 Screening compound: butyl 3-(2,5-dimethylphenoxy)-4-oxo-4H-chromen-7-yl carbonate
4358-3533 Screening compound: butyl 3-(2,5-dimethylphenoxy)-4-oxo-4H-chromen-7-yl carbonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4358-3533
butyl 3-(2,5-dimethylphenoxy)-4-oxo-4H-chromen-7-yl carbonate

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

4358-3533

Molecular Formula

C22H22O6 (C22 H22 O6)

Compound Name

butyl 3-(2,5-dimethylphenoxy)-4-oxo-4H-chromen-7-yl carbonate

IUPAC name

butyl 3-(25-dimethylphenoxy)-4-oxo-4H-chromen-7-yl carbonate

SMILES

CCCCOC(Oc(cc1)cc(OC=C2Oc3c(C)ccc(C)c3)c1C2=O)=O

InChI

InChI=1S/C22H22O6/c1-4-5-10-25-22(24)27-16-8-9-17-19(12-16)26-13-20(21(17)23)28-18-11-14(2)6-7-15(18)3/h6-9,11-13H,4-5,10H2,1-3H3

InChI Key

KYWXTSFMSHPESQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02368121

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.41

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

4.766

Distribution Coefficient, logD

4.766

Water Solubility, LogSw

-4.72

Polar Surface Area

56.716

Acid Dissociation Constant (pKa)

28.32

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with 4358-3533 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4358-3533?
Check Price and Availability of 4358-3533, 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 4358-3533 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4358-3533
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4358-3533
  • 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 4358-3533 available by request