C796-0416 Screening compound: methyl 3-amino-1H-1,2,4-triazole-5-carboxylate

C796-0416 Screening compound: methyl 3-amino-1H-1,2,4-triazole-5-carboxylate
C796-0416 Screening compound: methyl 3-amino-1H-1,2,4-triazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C796-0416
methyl 3-amino-1H-1,2,4-triazole-5-carboxylate

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

C796-0416

Molecular Formula

C4H6N4O2 (C4 H6 N4 O2)

Compound Name

methyl 3-amino-1H-1,2,4-triazole-5-carboxylate

IUPAC name

methyl 3-amino-1H-124-triazole-5-carboxylate

SMILES

COC(c1nc(N)n[nH]1)=O

InChI

InChI=1S/C4H6N4O2/c1-10-3(9)2-6-4(5)8-7-2/h1H3,(H3,5,6,7,8)

InChI Key

OSZNPKRMPBUQLB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01847702

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

142.12

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-0.429

Distribution Coefficient, logD

-0.447

Water Solubility, LogSw

0.07

Polar Surface Area

75.935

Acid Dissociation Constant (pKa)

2.97

Base Dissociation Constant (pKb)

-0.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C796-0416 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C796-0416 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C796-0416?
Check Price and Availability of C796-0416, 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 C796-0416 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C796-0416
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C796-0416
  • 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 C796-0416 available by request