8010-8003 Screening compound: 1-[5-methyl-1-(3-nitrophenyl)-1H-1,2,3-triazol-4-yl]-1-ethanone

8010-8003 Screening compound: 1-[5-methyl-1-(3-nitrophenyl)-1H-1,2,3-triazol-4-yl]-1-ethanone
8010-8003 Screening compound: 1-[5-methyl-1-(3-nitrophenyl)-1H-1,2,3-triazol-4-yl]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-8003
1-[5-methyl-1-(3-nitrophenyl)-1H-1,2,3-triazol-4-yl]-1-ethanone

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

8010-8003

Molecular Formula

C11H10N4O3 (C11 H10 N4 O3)

Compound Name

1-[5-methyl-1-(3-nitrophenyl)-1H-1,2,3-triazol-4-yl]-1-ethanone

IUPAC name

1-[5-methyl-1-(3-nitrophenyl)-1H-123-triazol-4-yl]ethan-1-one

SMILES

CC(c1c(C)n(-c2cccc([N+]([O-])=O)c2)nn1)=O

InChI

InChI=1S/C11H10N4O3/c1-7-11(8(2)16)12-13-14(7)9-4-3-5-10(6-9)15(17)18/h3-6H,1-2H3

InChI Key

URKVIRSKBUWXFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02157501

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

246.23

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.298

Distribution Coefficient, logD

1.298

Water Solubility, LogSw

-2.03

Polar Surface Area

74.290

Acid Dissociation Constant (pKa)

18.22

Base Dissociation Constant (pKb)

-0.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.18

8010-8003 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8010-8003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-8003?
Check Price and Availability of 8010-8003, 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 8010-8003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-8003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-8003
  • 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 8010-8003 available by request