4065-0400 Screening compound: 3-[(4-methoxybenzyl)sulfanyl]-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine

4065-0400 Screening compound: 3-[(4-methoxybenzyl)sulfanyl]-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine
4065-0400 Screening compound: 3-[(4-methoxybenzyl)sulfanyl]-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4065-0400
3-[(4-methoxybenzyl)sulfanyl]-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine

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

4065-0400

Molecular Formula

C15H16N4OS (C15 H16 N4 OS)

Compound Name

3-[(4-methoxybenzyl)sulfanyl]-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine

IUPAC name

3-{[(4-methoxyphenyl)methyl]sulfanyl}-57-dimethyl-[124]triazolo[43-a]pyrimidine

SMILES

Cc(n12)cc(C)nc2nnc1SCc(cc1)ccc1OC

InChI

InChI=1S/C15H16N4OS/c1-10-8-11(2)19-14(16-10)17-18-15(19)21-9-12-4-6-13(20-3)7-5-12/h4-8H,9H2,1-3H3

InChI Key

WUSHEUFRFCVIDE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01950565

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.177

Distribution Coefficient, logD

2.177

Water Solubility, LogSw

-2.39

Polar Surface Area

39.197

Acid Dissociation Constant (pKa)

22.75

Base Dissociation Constant (pKb)

2.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.67

4065-0400 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antifungal Library (16415 compounds)

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 4065-0400 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4065-0400?
Check Price and Availability of 4065-0400, 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 4065-0400 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4065-0400
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4065-0400
  • 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 4065-0400 available by request