2279-5402 Screening compound: butyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]butanoate

2279-5402 Screening compound: butyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]butanoate
2279-5402 Screening compound: butyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2279-5402
butyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]butanoate

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

2279-5402

Molecular Formula

C11H17N3O4S (C11 H17 N3 O4 S)

Compound Name

butyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]butanoate

IUPAC name

butyl 2-[(35-dioxo-2345-tetrahydro-124-triazin-6-yl)sulfanyl]butanoate

SMILES

CCCCOC(C(CC)SC(C(N1)=O)=NNC1=O)=O

InChI

InChI=1S/C11H17N3O4S/c1-3-5-6-18-10(16)7(4-2)19-9-8(15)12-11(17)14-13-9/h7H,3-6H2,1-2H3,(H2,12,14,15,17)/t7-/m0/s1

InChI Key

LTDNSBOCLLXFTF-ZETCQYMHSA-N

MDL Number (MFCD)

MFCD01463143

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.34

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.856

Distribution Coefficient, logD

1.830

Water Solubility, LogSw

-2.46

Polar Surface Area

82.374

Acid Dissociation Constant (pKa)

8.61

Base Dissociation Constant (pKb)

-2.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.60

2279-5402 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 2279-5402 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2279-5402?
Check Price and Availability of 2279-5402, 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 2279-5402 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2279-5402
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2279-5402
  • 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 2279-5402 available by request