Y509-3345 Screening compound: N'~1~-[(E)-1-(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-2-{[4-methyl-5-(2-toluidinomethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide

Y509-3345 Screening compound: N'~1~-[(E)-1-(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-2-{[4-methyl-5-(2-toluidinomethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Y509-3345 Screening compound: N'~1~-[(E)-1-(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-2-{[4-methyl-5-(2-toluidinomethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y509-3345
N'~1~-[(E)-1-(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-2-{[4-methyl-5-(2-toluidinomethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide

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

Y509-3345

Molecular Formula

C19H24N8OS (C19 H24 N8 OS)

Compound Name

N'~1~-[(E)-1-(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-2-{[4-methyl-5-(2-toluidinomethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide

IUPAC name

n/a

SMILES

Cc1nn(C)cc1/C=N/NC(CSc1nnc(CNc2c(C)cccc2)n1C)=O

InChI

InChI=1S/C19H24N8OS/c1-13-7-5-6-8-16(13)20-10-17-22-24-19(27(17)4)29-12-18(28)23-21-9-15-11-26(3)25-14(15)2/h5-9,11,20H,10,12H2,1-4H3,(H,23,28)

InChI Key

AANVURQVPYZLLM-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.174

Distribution Coefficient, logD

1.174

Water Solubility, LogSw

-2.13

Polar Surface Area

86.371

Acid Dissociation Constant (pKa)

10.56

Base Dissociation Constant (pKb)

5.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

References: we are preparing a list of scientific research reports with Y509-3345 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y509-3345?
Check Price and Availability of Y509-3345, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y509-3345 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y509-3345
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y509-3345
  • 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 Y509-3345 available by request