2279-3473 Screening compound: pentyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]propanoate

2279-3473 Screening compound: pentyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]propanoate
2279-3473 Screening compound: pentyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2279-3473
pentyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]propanoate

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

2279-3473

Molecular Formula

C11H17N3O4S (C11 H17 N3 O4 S)

Compound Name

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

IUPAC name

pentyl 2-[(35-dioxo-2345-tetrahydro-124-triazin-6-yl)sulfanyl]propanoate

SMILES

CCCCCOC(C(C)SC(C(N1)=O)=NNC1=O)=O

InChI

InChI=1S/C11H17N3O4S/c1-3-4-5-6-18-10(16)7(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

DONOLRDMSOZGRM-ZETCQYMHSA-N

MDL Number (MFCD)

MFCD02335570

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

1.907

Distribution Coefficient, logD

1.881

Water Solubility, LogSw

-2.47

Polar Surface Area

82.374

Acid Dissociation Constant (pKa)

8.61

Base Dissociation Constant (pKb)

-1.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.60

2279-3473 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 2279-3473 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2279-3473?
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What is the minimum amount of 2279-3473 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2279-3473
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2279-3473
  • 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 2279-3473 available by request