8020-7294 Screening compound: methyl 4-oxo-3-[4-(trifluoromethyl)phenyl]-2,3-dihydro-4H-furo[3,2-c]chromene-2-carboxylate

8020-7294 Screening compound: methyl 4-oxo-3-[4-(trifluoromethyl)phenyl]-2,3-dihydro-4H-furo[3,2-c]chromene-2-carboxylate
8020-7294 Screening compound: methyl 4-oxo-3-[4-(trifluoromethyl)phenyl]-2,3-dihydro-4H-furo[3,2-c]chromene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-7294
methyl 4-oxo-3-[4-(trifluoromethyl)phenyl]-2,3-dihydro-4H-furo[3,2-c]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

8020-7294

Molecular Formula

C20H13F3O5 (C20 H13 F3 O5)

Compound Name

methyl 4-oxo-3-[4-(trifluoromethyl)phenyl]-2,3-dihydro-4H-furo[3,2-c]chromene-2-carboxylate

IUPAC name

methyl 4-oxo-3-[4-(trifluoromethyl)phenyl]-2H3H4H-furo[32-c]chromene-2-carboxylate

SMILES

COC(C(C1c2ccc(C(F)(F)F)cc2)OC(c(cccc2)c2O2)=C1C2=O)=O

InChI

InChI=1S/C20H13F3O5/c1-26-19(25)17-14(10-6-8-11(9-7-10)20(21,22)23)15-16(28-17)12-4-2-3-5-13(12)27-18(15)24/h2-9,14,17H,1H3

InChI Key

FIHRXCSVOUKRFZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26098868

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.746

Distribution Coefficient, logD

3.746

Water Solubility, LogSw

-4.17

Polar Surface Area

50.516

Acid Dissociation Constant (pKa)

20.86

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

20.00

8020-7294 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8020-7294 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-7294?
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What is the minimum amount of 8020-7294 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-7294
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-7294
  • 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 8020-7294 available by request