1683-2875 Screening compound: pentyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]acetate

1683-2875 Screening compound: pentyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]acetate
1683-2875 Screening compound: pentyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1683-2875
pentyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]acetate

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

1683-2875

Molecular Formula

C10H15N3O4S (C10 H15 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C10H15N3O4S/c1-2-3-4-5-17-7(14)6-18-9-8(15)11-10(16)13-12-9/h2-6H2,1H3,(H2,11,13,15,16)

InChI Key

MBEUOYQJKDMOBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00707789

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

273.31

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

1.136

Distribution Coefficient, logD

1.109

Water Solubility, LogSw

-1.89

Polar Surface Area

81.779

Acid Dissociation Constant (pKa)

8.59

Base Dissociation Constant (pKb)

-1.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

1683-2875 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

KRAS-Targeted Library (16000 compounds)

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with 1683-2875 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1683-2875?
Check Price and Availability of 1683-2875, 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 1683-2875 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1683-2875
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1683-2875
  • 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 1683-2875 available by request