Y500-6610 Screening compound: N'-[(E)-1-(6-bromo-1,3-benzodioxol-5-yl)methylidene]-3-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzohydrazide

Y500-6610 Screening compound: N'-[(E)-1-(6-bromo-1,3-benzodioxol-5-yl)methylidene]-3-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzohydrazide
Y500-6610 Screening compound: N'-[(E)-1-(6-bromo-1,3-benzodioxol-5-yl)methylidene]-3-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y500-6610
N'-[(E)-1-(6-bromo-1,3-benzodioxol-5-yl)methylidene]-3-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzohydrazide

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

Y500-6610

Molecular Formula

C20H16BrN5O5 (C20 H16 BrN5 O5)

Compound Name

N'-[(E)-1-(6-bromo-1,3-benzodioxol-5-yl)methylidene]-3-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzohydrazide

IUPAC name

N'-[(E)-(6-bromo-2H-13-benzodioxol-5-yl)methylidene]-3-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzohydrazide

SMILES

Cc1cc([N+]([O-])=O)nn1Cc1cccc(C(N/N=C/c(cc2OCOc2c2)c2Br)=O)c1

InChI

InChI=1S/C20H16BrN5O5/c1-12-5-19(26(28)29)24-25(12)10-13-3-2-4-14(6-13)20(27)23-22-9-15-7-17-18(8-16(15)21)31-11-30-17/h2-9H,10-11H2,1H3,(H,23,27)

InChI Key

NOBUUYWHNQWXHC-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.28

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.265

Distribution Coefficient, logD

3.162

Water Solubility, LogSw

-3.45

Polar Surface Area

99.444

Acid Dissociation Constant (pKa)

7.98

Base Dissociation Constant (pKb)

0.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with Y500-6610 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y500-6610?
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What is the minimum amount of Y500-6610 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y500-6610
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y500-6610
  • 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 Y500-6610 available by request