Y509-3599 Screening compound: 2-[(5-formyl-2-methoxybenzyl)sulfanyl]-4-methyl-6-(trifluoromethyl)-3-pyridyl cyanide

Y509-3599 Screening compound: 2-[(5-formyl-2-methoxybenzyl)sulfanyl]-4-methyl-6-(trifluoromethyl)-3-pyridyl cyanide
Y509-3599 Screening compound: 2-[(5-formyl-2-methoxybenzyl)sulfanyl]-4-methyl-6-(trifluoromethyl)-3-pyridyl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y509-3599
2-[(5-formyl-2-methoxybenzyl)sulfanyl]-4-methyl-6-(trifluoromethyl)-3-pyridyl cyanide

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

Y509-3599

Molecular Formula

C17H13F3N2O2S (C17 H13 F3 N2 O2 S)

Compound Name

2-[(5-formyl-2-methoxybenzyl)sulfanyl]-4-methyl-6-(trifluoromethyl)-3-pyridyl cyanide

IUPAC name

n/a

SMILES

Cc(cc(C(F)(F)F)nc1SCc(cc(C=O)cc2)c2OC)c1C#N

InChI

InChI=1S/C17H13F3N2O2S/c1-10-5-15(17(18,19)20)22-16(13(10)7-21)25-9-12-6-11(8-23)3-4-14(12)24-2/h3-6,8H,9H2,1-2H3

InChI Key

RVACASJHLNOAOQ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.234

Distribution Coefficient, logD

4.234

Water Solubility, LogSw

-4.54

Polar Surface Area

47.560

Acid Dissociation Constant (pKa)

25.71

Base Dissociation Constant (pKb)

-1.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

References: we are preparing a list of scientific research reports with Y509-3599 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y509-3599?
Check Price and Availability of Y509-3599, 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 Y509-3599 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y509-3599
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y509-3599
  • 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 Y509-3599 available by request