8020-8401 Screening compound: 3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-3-(4-methoxyphenyl)-N~1~-[4-(trifluoromethyl)phenyl]propanamide

8020-8401 Screening compound: 3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-3-(4-methoxyphenyl)-N~1~-[4-(trifluoromethyl)phenyl]propanamide
8020-8401 Screening compound: 3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-3-(4-methoxyphenyl)-N~1~-[4-(trifluoromethyl)phenyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-8401
3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-3-(4-methoxyphenyl)-N~1~-[4-(trifluoromethyl)phenyl]propanamide

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

8020-8401

Molecular Formula

C23H20F3NO5 (C23 H20 F3 NO5)

Compound Name

3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-3-(4-methoxyphenyl)-N~1~-[4-(trifluoromethyl)phenyl]propanamide

IUPAC name

3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-3-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]propanamide

SMILES

CC(O1)=CC(O)=C(C(CC(Nc2ccc(C(F)(F)F)cc2)=O)c(cc2)ccc2OC)C1=O

InChI

InChI=1S/C23H20F3NO5/c1-13-11-19(28)21(22(30)32-13)18(14-3-9-17(31-2)10-4-14)12-20(29)27-16-7-5-15(6-8-16)23(24,25)26/h3-11,18,28H,12H2,1-2H3,(H,27,29)/t18-/m0/s1

InChI Key

NUCPLOKRQYXCAE-SFHVURJKSA-N

MDL Number (MFCD)

MFCD30711607

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.986

Distribution Coefficient, logD

0.994

Water Solubility, LogSw

-4.28

Polar Surface Area

68.292

Acid Dissociation Constant (pKa)

4.41

Base Dissociation Constant (pKb)

-3.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.74

8020-8401 in Drug Discovery

Included in Screening Libraries

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 8020-8401 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-8401?
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What is the minimum amount of 8020-8401 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-8401
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-8401
  • 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 8020-8401 available by request