4300-0114 Screening compound: 3-(4-tert-butylphenoxy)-4-oxo-4H-chromen-7-yl ethyl carbonate

4300-0114 Screening compound: 3-(4-tert-butylphenoxy)-4-oxo-4H-chromen-7-yl ethyl carbonate
4300-0114 Screening compound: 3-(4-tert-butylphenoxy)-4-oxo-4H-chromen-7-yl ethyl carbonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4300-0114
3-(4-tert-butylphenoxy)-4-oxo-4H-chromen-7-yl ethyl 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

4300-0114

Molecular Formula

C22H22O6 (C22 H22 O6)

Compound Name

3-(4-tert-butylphenoxy)-4-oxo-4H-chromen-7-yl ethyl carbonate

IUPAC name

3-(4-tert-butylphenoxy)-4-oxo-4H-chromen-7-yl ethyl carbonate

SMILES

CCOC(Oc(cc1)cc(OC=C2Oc3ccc(C(C)(C)C)cc3)c1C2=O)=O

InChI

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

InChI Key

BFNWUOVHRDSTPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02081514

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

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.652

Distribution Coefficient, logD

4.652

Water Solubility, LogSw

-4.48

Polar Surface Area

56.335

Acid Dissociation Constant (pKa)

30.17

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

4300-0114 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 4300-0114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4300-0114?
Check Price and Availability of 4300-0114, 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 4300-0114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4300-0114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4300-0114
  • 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 4300-0114 available by request