2159-4234 Screening compound: butyl 3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanoate

2159-4234 Screening compound: butyl 3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanoate
2159-4234 Screening compound: butyl 3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2159-4234
butyl 3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)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

2159-4234

Molecular Formula

C10H15N3O4 (C10 H15 N3 O4)

Compound Name

butyl 3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanoate

IUPAC name

butyl 3-(35-dioxo-2345-tetrahydro-124-triazin-6-yl)propanoate

SMILES

CCCCOC(CCC(C(N1)=O)=NNC1=O)=O

InChI

InChI=1S/C10H15N3O4/c1-2-3-6-17-8(14)5-4-7-9(15)11-10(16)13-12-7/h2-6H2,1H3,(H2,11,13,15,16)

InChI Key

QQNUVQNPMKMXLK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01185047

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

241.25

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.670

Distribution Coefficient, logD

0.643

Water Solubility, LogSw

-1.34

Polar Surface Area

81.263

Acid Dissociation Constant (pKa)

8.60

Base Dissociation Constant (pKb)

-0.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

2159-4234 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 2159-4234 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2159-4234?
Check Price and Availability of 2159-4234, 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 2159-4234 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2159-4234
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2159-4234
  • 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 2159-4234 available by request