4065-0475 Screening compound: 3-(butylsulfanyl)-6-methyl-1,2,4-triazin-5-ol

4065-0475 Screening compound: 3-(butylsulfanyl)-6-methyl-1,2,4-triazin-5-ol
4065-0475 Screening compound: 3-(butylsulfanyl)-6-methyl-1,2,4-triazin-5-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4065-0475
3-(butylsulfanyl)-6-methyl-1,2,4-triazin-5-ol

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

4065-0475

Molecular Formula

C8H13N3OS (C8 H13 N3 OS)

Compound Name

3-(butylsulfanyl)-6-methyl-1,2,4-triazin-5-ol

IUPAC name

3-(butylsulfanyl)-6-methyl-124-triazin-5-ol

SMILES

CCCCSc1nnc(C)c(O)n1

InChI

InChI=1S/C8H13N3OS/c1-3-4-5-13-8-9-7(12)6(2)10-11-8/h3-5H2,1-2H3,(H,9,11,12)

InChI Key

ZCBLODFWCPRMIZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02331156

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

199.28

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.604

Distribution Coefficient, logD

0.723

Water Solubility, LogSw

-1.28

Polar Surface Area

48.196

Acid Dissociation Constant (pKa)

6.58

Base Dissociation Constant (pKb)

-1.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

62.50

4065-0475 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 4065-0475 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4065-0475?
Check Price and Availability of 4065-0475, 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 4065-0475 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4065-0475
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4065-0475
  • 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 4065-0475 available by request