4487-0452 Screening compound: N-(2-methoxyphenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide

4487-0452 Screening compound: N-(2-methoxyphenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide
4487-0452 Screening compound: N-(2-methoxyphenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4487-0452
N-(2-methoxyphenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide

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

4487-0452

Molecular Formula

C11H11N5O4 (C11 H11 N5 O4)

Compound Name

N-(2-methoxyphenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide

IUPAC name

N-(2-methoxyphenyl)-2-(3-nitro-1H-124-triazol-1-yl)acetamide

SMILES

COc(cccc1)c1NC(Cn(cn1)nc1[N+]([O-])=O)=O

InChI

InChI=1S/C11H11N5O4/c1-20-9-5-3-2-4-8(9)13-10(17)6-15-7-12-11(14-15)16(18)19/h2-5,7H,6H2,1H3,(H,13,17)

InChI Key

ARUWGFBKYWFXFT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02139922

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

277.24

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.076

Distribution Coefficient, logD

1.076

Water Solubility, LogSw

-2.36

Polar Surface Area

86.716

Acid Dissociation Constant (pKa)

11.28

Base Dissociation Constant (pKb)

1.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with 4487-0452 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4487-0452?
Check Price and Availability of 4487-0452, 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 4487-0452 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4487-0452
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4487-0452
  • 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 4487-0452 available by request