1611-3159 Screening compound: ethyl 2-({7-[(1-ethoxy-1-oxopropan-2-yl)oxy]-4-oxo-2-phenyl-4H-chromen-5-yl}oxy)propanoate

1611-3159 Screening compound: ethyl 2-({7-[(1-ethoxy-1-oxopropan-2-yl)oxy]-4-oxo-2-phenyl-4H-chromen-5-yl}oxy)propanoate
1611-3159 Screening compound: ethyl 2-({7-[(1-ethoxy-1-oxopropan-2-yl)oxy]-4-oxo-2-phenyl-4H-chromen-5-yl}oxy)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1611-3159
ethyl 2-({7-[(1-ethoxy-1-oxopropan-2-yl)oxy]-4-oxo-2-phenyl-4H-chromen-5-yl}oxy)propanoate

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

1611-3159

Molecular Formula

C25H26O8 (C25 H26 O8)

Compound Name

ethyl 2-({7-[(1-ethoxy-1-oxopropan-2-yl)oxy]-4-oxo-2-phenyl-4H-chromen-5-yl}oxy)propanoate

IUPAC name

ethyl 2-({7-[(1-ethoxy-1-oxopropan-2-yl)oxy]-4-oxo-2-phenyl-4H-chromen-5-yl}oxy)propanoate

SMILES

CCOC(C(C)Oc(cc1OC(C)C(OCC)=O)cc(OC(c2ccccc2)=C2)c1C2=O)=O

InChI

InChI=1S/C25H26O8/c1-5-29-24(27)15(3)31-18-12-21(32-16(4)25(28)30-6-2)23-19(26)14-20(33-22(23)13-18)17-10-8-7-9-11-17/h7-16H,5-6H2,1-4H3

InChI Key

CSPOYJOHOGVMGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00708019

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.48

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.532

Distribution Coefficient, logD

4.532

Water Solubility, LogSw

-4.52

Polar Surface Area

76.957

Acid Dissociation Constant (pKa)

22.48

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

32.00

References: we are preparing a list of scientific research reports with 1611-3159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1611-3159?
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What is the minimum amount of 1611-3159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1611-3159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1611-3159
  • 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 1611-3159 available by request