3232-0085 Screening compound: 3-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]propanoic acid

3232-0085 Screening compound: 3-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]propanoic acid
3232-0085 Screening compound: 3-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3232-0085
3-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]propanoic acid

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

3232-0085

Molecular Formula

C6H7N3O4S (C6 H7 N3 O4 S)

Compound Name

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

IUPAC name

3-[(35-dioxo-2345-tetrahydro-124-triazin-6-yl)sulfanyl]propanoic acid

SMILES

OC(CCSC(C(N1)=O)=NNC1=O)=O

InChI

InChI=1S/C6H7N3O4S/c10-3(11)1-2-14-5-4(12)7-6(13)9-8-5/h1-2H2,(H,10,11)(H2,7,9,12,13)

InChI Key

LZTXBAHEHFBQPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01183872

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

217.21

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-1.195

Distribution Coefficient, logD

-3.891

Water Solubility, LogSw

-1.28

Polar Surface Area

89.710

Acid Dissociation Constant (pKa)

4.71

Base Dissociation Constant (pKb)

-2.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

3232-0085 in Drug Discovery

Included in Screening Libraries

RNA-Protein Interaction Inhibitors Library (1986 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3232-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3232-0085?
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What is the minimum amount of 3232-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3232-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3232-0085
  • 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 3232-0085 available by request