5174-0823 Screening compound: 3-(4-methylphenoxy)-4-oxo-4H-chromen-7-yl 2-oxo-2H-chromene-3-carboxylate

5174-0823 Screening compound: 3-(4-methylphenoxy)-4-oxo-4H-chromen-7-yl 2-oxo-2H-chromene-3-carboxylate
5174-0823 Screening compound: 3-(4-methylphenoxy)-4-oxo-4H-chromen-7-yl 2-oxo-2H-chromene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5174-0823
3-(4-methylphenoxy)-4-oxo-4H-chromen-7-yl 2-oxo-2H-chromene-3-carboxylate

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

5174-0823

Molecular Formula

C26H16O7 (C26 H16 O7)

Compound Name

3-(4-methylphenoxy)-4-oxo-4H-chromen-7-yl 2-oxo-2H-chromene-3-carboxylate

IUPAC name

3-(4-methylphenoxy)-4-oxo-4H-chromen-7-yl 2-oxo-2H-chromene-3-carboxylate

SMILES

Cc(cc1)ccc1OC1=COc(cc(cc2)OC(C3=Cc(cccc4)c4OC3=O)=O)c2C1=O

InChI

InChI=1S/C26H16O7/c1-15-6-8-17(9-7-15)31-23-14-30-22-13-18(10-11-19(22)24(23)27)32-25(28)20-12-16-4-2-3-5-21(16)33-26(20)29/h2-14H,1H3

InChI Key

JTHIIUJRIRJEQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02963730

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.41

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.473

Distribution Coefficient, logD

4.473

Water Solubility, LogSw

-4.58

Polar Surface Area

68.869

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.80

5174-0823 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5174-0823 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5174-0823?
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What is the minimum amount of 5174-0823 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5174-0823
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5174-0823
  • 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 5174-0823 available by request