K061-1105 Screening compound: methyl 3-nitro-1H-1,2,4-triazole-5-carboxylate

K061-1105 Screening compound: methyl 3-nitro-1H-1,2,4-triazole-5-carboxylate
K061-1105 Screening compound: methyl 3-nitro-1H-1,2,4-triazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K061-1105
methyl 3-nitro-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

K061-1105

Molecular Formula

C4H4N4O4 (C4 H4 N4 O4)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C4H4N4O4/c1-12-3(9)2-5-4(7-6-2)8(10)11/h1H3,(H,5,6,7)

InChI Key

YYOJQHLOAOGWKJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01102794

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

172.1

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.091

Distribution Coefficient, logD

-3.447

Water Solubility, LogSw

-0.62

Polar Surface Area

87.777

Acid Dissociation Constant (pKa)

-0.86

Base Dissociation Constant (pKb)

-3.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

K061-1105 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K061-1105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K061-1105?
Check Price and Availability of K061-1105, 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 K061-1105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K061-1105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K061-1105
  • 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 K061-1105 available by request