4065-0464 Screening compound: 6-methyl-3-[(3-methylbutyl)sulfanyl]-1,2,4-triazin-5-ol

4065-0464 Screening compound: 6-methyl-3-[(3-methylbutyl)sulfanyl]-1,2,4-triazin-5-ol
4065-0464 Screening compound: 6-methyl-3-[(3-methylbutyl)sulfanyl]-1,2,4-triazin-5-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4065-0464
6-methyl-3-[(3-methylbutyl)sulfanyl]-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

4065-0464

Molecular Formula

C9H15N3OS (C9 H15 N3 OS)

Compound Name

6-methyl-3-[(3-methylbutyl)sulfanyl]-1,2,4-triazin-5-ol

IUPAC name

6-methyl-3-[(3-methylbutyl)sulfanyl]-124-triazin-5-ol

SMILES

CC(C)CCSc1nnc(C)c(O)n1

InChI

InChI=1S/C9H15N3OS/c1-6(2)4-5-14-9-10-8(13)7(3)11-12-9/h6H,4-5H2,1-3H3,(H,10,12,13)

InChI Key

LSPCLSHTUUTGJB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02331154

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

213.3

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

1.659

Distribution Coefficient, logD

0.778

Water Solubility, LogSw

-1.23

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

66.70

4065-0464 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS MPO Library (28609 compounds)

Dark Chemical Matter Library (18430 compounds)

Soluble Diversity Library (15920 compounds)

Akt-Targeted Library (14764 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Nervous system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4065-0464 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4065-0464?
Check Price and Availability of 4065-0464, 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 4065-0464 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4065-0464
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4065-0464
  • 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 4065-0464 available by request