1682-3412 Screening compound: ethyl 2-[(5-oxo-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino]propanoate

1682-3412 Screening compound: ethyl 2-[(5-oxo-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino]propanoate
1682-3412 Screening compound: ethyl 2-[(5-oxo-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1682-3412
ethyl 2-[(5-oxo-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino]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

1682-3412

Molecular Formula

C8H12N4O3S (C8 H12 N4 O3 S)

Compound Name

ethyl 2-[(5-oxo-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino]propanoate

IUPAC name

ethyl 2-[(5-oxo-3-sulfanylidene-2345-tetrahydro-124-triazin-6-yl)amino]propanoate

SMILES

CCOC(C(C)NC(C(N1)=O)=NNC1=S)=O

InChI

InChI=1S/C8H12N4O3S/c1-3-15-7(14)4(2)9-5-6(13)10-8(16)12-11-5/h4H,3H2,1-2H3,(H,9,11)(H2,10,12,13,16)/t4-/m0/s1

InChI Key

FBOALDPAUMUIPY-BYPYZUCNSA-N

MDL Number (MFCD)

MFCD00522554

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

244.27

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.438

Distribution Coefficient, logD

-0.846

Water Solubility, LogSw

-2.20

Polar Surface Area

79.884

Acid Dissociation Constant (pKa)

6.14

Base Dissociation Constant (pKb)

2.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

1682-3412 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 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 1682-3412 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1682-3412?
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What is the minimum amount of 1682-3412 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1682-3412
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1682-3412
  • 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 1682-3412 available by request