Y501-5059 Screening compound: 3-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-N'-[(E)-1-(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1,2,4-oxadiazole-5-carbohydrazide

Y501-5059 Screening compound: 3-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-N'-[(E)-1-(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1,2,4-oxadiazole-5-carbohydrazide
Y501-5059 Screening compound: 3-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-N'-[(E)-1-(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1,2,4-oxadiazole-5-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y501-5059
3-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-N'-[(E)-1-(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1,2,4-oxadiazole-5-carbohydrazide

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

Y501-5059

Molecular Formula

C17H12F3N7O6 (C17 H12 F3 N7 O6)

Compound Name

3-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-N'-[(E)-1-(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1,2,4-oxadiazole-5-carbohydrazide

IUPAC name

3-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-N'-[(E)-(6-nitro-2H-13-benzodioxol-5-yl)methylidene]-124-oxadiazole-5-carbohydrazide

SMILES

Cc1cc(C(F)(F)F)nn1Cc1noc(C(N/N=C/c(cc2OCOc2c2)c2[N+]([O-])=O)=O)n1

InChI

InChI=1S/C17H12F3N7O6/c1-8-2-13(17(18,19)20)24-26(8)6-14-22-16(33-25-14)15(28)23-21-5-9-3-11-12(32-7-31-11)4-10(9)27(29)30/h2-5H,6-7H2,1H3,(H,23,28)

InChI Key

JCZYPMLSSYZZGS-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.32

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

2.261

Distribution Coefficient, logD

2.167

Water Solubility, LogSw

-2.75

Polar Surface Area

132.619

Acid Dissociation Constant (pKa)

8.02

Base Dissociation Constant (pKb)

1.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.53

References: we are preparing a list of scientific research reports with Y501-5059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-5059?
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What is the minimum amount of Y501-5059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-5059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-5059
  • 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 Y501-5059 available by request