3653-0413 Screening compound: N-(4-nitrophenyl)-2-(4H-1,2,4-triazol-3-ylsulfanyl)acetamide

3653-0413 Screening compound: N-(4-nitrophenyl)-2-(4H-1,2,4-triazol-3-ylsulfanyl)acetamide
3653-0413 Screening compound: N-(4-nitrophenyl)-2-(4H-1,2,4-triazol-3-ylsulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3653-0413
N-(4-nitrophenyl)-2-(4H-1,2,4-triazol-3-ylsulfanyl)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

3653-0413

Molecular Formula

C10H9N5O3S (C10 H9 N5 O3 S)

Compound Name

N-(4-nitrophenyl)-2-(4H-1,2,4-triazol-3-ylsulfanyl)acetamide

IUPAC name

N-(4-nitrophenyl)-2-(4H-124-triazol-3-ylsulfanyl)acetamide

SMILES

[O-][N+](c(cc1)ccc1NC(CSc1nnc[nH]1)=O)=O

InChI

InChI=1S/C10H9N5O3S/c16-9(5-19-10-11-6-12-14-10)13-7-1-3-8(4-2-7)15(17)18/h1-4,6H,5H2,(H,13,16)(H,11,12,14)

InChI Key

CWTLZEJPOXNXFQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01325680

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

279.28

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.665

Distribution Coefficient, logD

0.310

Water Solubility, LogSw

-2.40

Polar Surface Area

90.923

Acid Dissociation Constant (pKa)

8.71

Base Dissociation Constant (pKb)

0.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with 3653-0413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3653-0413?
Check Price and Availability of 3653-0413, 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 3653-0413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3653-0413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3653-0413
  • 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 3653-0413 available by request