2595-0250 Screening compound: methyl 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetate

2595-0250 Screening compound: methyl 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetate
2595-0250 Screening compound: methyl 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2595-0250
methyl 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetate

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

2595-0250

Molecular Formula

C18H15N3O2S (C18 H15 N3 O2 S)

Compound Name

methyl 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetate

IUPAC name

methyl 2-[(56-diphenyl-124-triazin-3-yl)sulfanyl]acetate

SMILES

COC(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)=O

InChI

InChI=1S/C18H15N3O2S/c1-23-15(22)12-24-18-19-16(13-8-4-2-5-9-13)17(20-21-18)14-10-6-3-7-11-14/h2-11H,12H2,1H3

InChI Key

LAXCWLNXXWPYHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01847701

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.043

Distribution Coefficient, logD

3.043

Water Solubility, LogSw

-3.13

Polar Surface Area

52.236

Acid Dissociation Constant (pKa)

16.85

Base Dissociation Constant (pKb)

-0.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with 2595-0250 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2595-0250?
Check Price and Availability of 2595-0250, 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 2595-0250 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2595-0250
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2595-0250
  • 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 2595-0250 available by request