K061-1120 Screening compound: methyl 2-(3-nitro-1H-1,2,4-triazol-1-yl)acetate

K061-1120 Screening compound: methyl 2-(3-nitro-1H-1,2,4-triazol-1-yl)acetate
K061-1120 Screening compound: methyl 2-(3-nitro-1H-1,2,4-triazol-1-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound K061-1120
methyl 2-(3-nitro-1H-1,2,4-triazol-1-yl)acetate

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

K061-1120

Molecular Formula

C5H6N4O4 (C5 H6 N4 O4)

Compound Name

methyl 2-(3-nitro-1H-1,2,4-triazol-1-yl)acetate

IUPAC name

methyl 2-(3-nitro-1H-124-triazol-1-yl)acetate

SMILES

COC(Cn(cn1)nc1[N+]([O-])=O)=O

InChI

InChI=1S/C5H6N4O4/c1-13-4(10)2-8-3-6-5(7-8)9(11)12/h3H,2H2,1H3

InChI Key

XBISXCYXLGZZFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01027023

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

186.13

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.356

Distribution Coefficient, logD

-0.356

Water Solubility, LogSw

-0.76

Polar Surface Area

77.485

Acid Dissociation Constant (pKa)

20.32

Base Dissociation Constant (pKb)

-4.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

K061-1120 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
Targets:
  • Proteases
  • Kinases

References: we are preparing a list of scientific research reports with K061-1120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K061-1120?
Check Price and Availability of K061-1120, 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 K061-1120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K061-1120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K061-1120
  • 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 K061-1120 available by request