6737-1397 Screening compound: ethyl 3-(3,4-dimethoxyphenyl)-7-[(4-fluorophenyl)methoxy]-4-oxo-4H-chromene-2-carboxylate

6737-1397 Screening compound: ethyl 3-(3,4-dimethoxyphenyl)-7-[(4-fluorophenyl)methoxy]-4-oxo-4H-chromene-2-carboxylate
6737-1397 Screening compound: ethyl 3-(3,4-dimethoxyphenyl)-7-[(4-fluorophenyl)methoxy]-4-oxo-4H-chromene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6737-1397
ethyl 3-(3,4-dimethoxyphenyl)-7-[(4-fluorophenyl)methoxy]-4-oxo-4H-chromene-2-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

6737-1397

Molecular Formula

C27H23FO7 (C27 H23 FO7)

Compound Name

ethyl 3-(3,4-dimethoxyphenyl)-7-[(4-fluorophenyl)methoxy]-4-oxo-4H-chromene-2-carboxylate

IUPAC name

ethyl 3-(34-dimethoxyphenyl)-7-[(4-fluorophenyl)methoxy]-4-oxo-4H-chromene-2-carboxylate

SMILES

CCOC(C(Oc1c2ccc(OCc(cc3)ccc3F)c1)=C(c(cc1)cc(OC)c1OC)C2=O)=O

InChI

InChI=1S/C27H23FO7/c1-4-33-27(30)26-24(17-7-12-21(31-2)23(13-17)32-3)25(29)20-11-10-19(14-22(20)35-26)34-15-16-5-8-18(28)9-6-16/h5-14H,4,15H2,1-3H3

InChI Key

VQWQUGCZWAVKEH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04007312

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.805

Distribution Coefficient, logD

4.805

Water Solubility, LogSw

-4.87

Polar Surface Area

63.520

Acid Dissociation Constant (pKa)

28.94

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

References: we are preparing a list of scientific research reports with 6737-1397 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6737-1397?
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What is the minimum amount of 6737-1397 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6737-1397
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6737-1397
  • 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 6737-1397 available by request