2712-5122 Screening compound: ethyl 4-(2-{[3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl]oxy}acetamido)benzoate

2712-5122 Screening compound: ethyl 4-(2-{[3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl]oxy}acetamido)benzoate
2712-5122 Screening compound: ethyl 4-(2-{[3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl]oxy}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2712-5122
ethyl 4-(2-{[3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl]oxy}acetamido)benzoate

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

2712-5122

Molecular Formula

C26H20ClNO6 (C26 H20 ClNO6)

Compound Name

ethyl 4-(2-{[3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl]oxy}acetamido)benzoate

IUPAC name

ethyl 4-(2-{[3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl]oxy}acetamido)benzoate

SMILES

CCOC(c(cc1)ccc1NC(COc(cc1)cc(OC=C2c(cc3)ccc3Cl)c1C2=O)=O)=O

InChI

InChI=1S/C26H20ClNO6/c1-2-32-26(31)17-5-9-19(10-6-17)28-24(29)15-33-20-11-12-21-23(13-20)34-14-22(25(21)30)16-3-7-18(27)8-4-16/h3-14H,2,15H2,1H3,(H,28,29)

InChI Key

BQBFOPOAVMJHMB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05742809

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.9

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.166

Distribution Coefficient, logD

5.166

Water Solubility, LogSw

-5.46

Polar Surface Area

71.991

Acid Dissociation Constant (pKa)

10.98

Base Dissociation Constant (pKb)

-1.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

2712-5122 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 2712-5122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2712-5122?
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What is the minimum amount of 2712-5122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2712-5122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2712-5122
  • 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 2712-5122 available by request