5173-3157 Screening compound: methyl 3-(4-methylphenoxy)-4-oxo-4H-chromen-7-yl carbonate

5173-3157 Screening compound: methyl 3-(4-methylphenoxy)-4-oxo-4H-chromen-7-yl carbonate
5173-3157 Screening compound: methyl 3-(4-methylphenoxy)-4-oxo-4H-chromen-7-yl carbonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5173-3157
methyl 3-(4-methylphenoxy)-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

5173-3157

Molecular Formula

C18H14O6 (C18 H14 O6)

Compound Name

methyl 3-(4-methylphenoxy)-4-oxo-4H-chromen-7-yl carbonate

IUPAC name

methyl 3-(4-methylphenoxy)-4-oxo-4H-chromen-7-yl carbonate

SMILES

Cc(cc1)ccc1OC1=COc(cc(cc2)OC(OC)=O)c2C1=O

InChI

InChI=1S/C18H14O6/c1-11-3-5-12(6-4-11)23-16-10-22-15-9-13(24-18(20)21-2)7-8-14(15)17(16)19/h3-10H,1-2H3

InChI Key

DIENRFWKHKTZHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02960783

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.31

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.734

Distribution Coefficient, logD

2.734

Water Solubility, LogSw

-3.21

Polar Surface Area

56.756

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

5173-3157 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 5173-3157 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5173-3157?
Check Price and Availability of 5173-3157, 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 5173-3157 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5173-3157
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5173-3157
  • 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 5173-3157 available by request