8020-8432 Screening compound: N~1~-(4-fluoro-3-nitrophenyl)-3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-3-(7-methoxy-1,3-benzodioxol-5-yl)propanamide

8020-8432 Screening compound: N~1~-(4-fluoro-3-nitrophenyl)-3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-3-(7-methoxy-1,3-benzodioxol-5-yl)propanamide
8020-8432 Screening compound: N~1~-(4-fluoro-3-nitrophenyl)-3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-3-(7-methoxy-1,3-benzodioxol-5-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-8432
N~1~-(4-fluoro-3-nitrophenyl)-3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-3-(7-methoxy-1,3-benzodioxol-5-yl)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

8020-8432

Molecular Formula

C23H19FN2O9 (C23 H19 FN2 O9)

Compound Name

N~1~-(4-fluoro-3-nitrophenyl)-3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-3-(7-methoxy-1,3-benzodioxol-5-yl)propanamide

IUPAC name

N-(4-fluoro-3-nitrophenyl)-3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-3-(7-methoxy-2H-13-benzodioxol-5-yl)propanamide

SMILES

CC(O1)=CC(O)=C(C(CC(Nc(cc2)cc([N+]([O-])=O)c2F)=O)c2cc(OC)c3OCOc3c2)C1=O

InChI

InChI=1S/C23H19FN2O9/c1-11-5-17(27)21(23(29)35-11)14(12-6-18(32-2)22-19(7-12)33-10-34-22)9-20(28)25-13-3-4-15(24)16(8-13)26(30)31/h3-8,14,27H,9-10H2,1-2H3,(H,25,28)/t14-/m0/s1

InChI Key

DWZKGNWCVWMHBI-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD30711628

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.41

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.006

Distribution Coefficient, logD

0.014

Water Solubility, LogSw

-3.55

Polar Surface Area

118.259

Acid Dissociation Constant (pKa)

4.41

Base Dissociation Constant (pKb)

-4.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.74

8020-8432 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8020-8432 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-8432?
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What is the minimum amount of 8020-8432 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-8432
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-8432
  • 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 8020-8432 available by request