8020-8126 Screening compound: (Z)-3-(5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)-2-propenoic acid

8020-8126 Screening compound: (Z)-3-(5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)-2-propenoic acid
8020-8126 Screening compound: (Z)-3-(5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)-2-propenoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-8126
(Z)-3-(5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)-2-propenoic 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

8020-8126

Molecular Formula

C5H5N3O3 (C5 H5 N3 O3)

Compound Name

(Z)-3-(5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)-2-propenoic acid

IUPAC name

(2Z)-3-(5-oxo-45-dihydro-1H-124-triazol-3-yl)prop-2-enoic acid

SMILES

OC(/C=C\C(N1)=NNC1=O)=O

InChI

InChI=1S/C5H5N3O3/c9-4(10)2-1-3-6-5(11)8-7-3/h1-2H,(H,9,10)(H2,6,7,8,11)

InChI Key

KVHXGAAKITUNCJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD24540281

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

155.11

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-0.252

Distribution Coefficient, logD

-3.183

Water Solubility, LogSw

-1.48

Polar Surface Area

78.081

Acid Dissociation Constant (pKa)

4.47

Base Dissociation Constant (pKb)

3.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8020-8126 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8020-8126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-8126?
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What is the minimum amount of 8020-8126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-8126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-8126
  • 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 8020-8126 available by request