2712-5106 Screening compound: methyl 2-{[3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl]oxy}acetate

2712-5106 Screening compound: methyl 2-{[3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl]oxy}acetate
2712-5106 Screening compound: methyl 2-{[3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl]oxy}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2712-5106
methyl 2-{[3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl]oxy}acetate

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

2712-5106

Molecular Formula

C18H13ClO5 (C18 H13 ClO5)

Compound Name

methyl 2-{[3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl]oxy}acetate

IUPAC name

methyl 2-{[3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl]oxy}acetate

SMILES

COC(COc(cc1)cc(OC=C2c(cc3)ccc3Cl)c1C2=O)=O

InChI

InChI=1S/C18H13ClO5/c1-22-17(20)10-23-13-6-7-14-16(8-13)24-9-15(18(14)21)11-2-4-12(19)5-3-11/h2-9H,10H2,1H3

InChI Key

FZKKAUOAMIZNIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02080766

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.75

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.949

Distribution Coefficient, logD

2.949

Water Solubility, LogSw

-3.41

Polar Surface Area

48.938

Acid Dissociation Constant (pKa)

24.27

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

2712-5106 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 2712-5106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2712-5106?
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What is the minimum amount of 2712-5106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2712-5106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2712-5106
  • 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 2712-5106 available by request