8014-9925 Screening compound: N-(2,6-dichlorophenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide

8014-9925 Screening compound: N-(2,6-dichlorophenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide
8014-9925 Screening compound: N-(2,6-dichlorophenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-9925
N-(2,6-dichlorophenyl)-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

8014-9925

Molecular Formula

C10H7Cl2N5O3 (C10 H7 Cl2 N5 O3)

Compound Name

N-(2,6-dichlorophenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide

IUPAC name

N-(26-dichlorophenyl)-2-(3-nitro-1H-124-triazol-1-yl)acetamide

SMILES

[O-][N+](c1nn(CC(Nc(c(Cl)ccc2)c2Cl)=O)cn1)=O

InChI

InChI=1S/C10H7Cl2N5O3/c11-6-2-1-3-7(12)9(6)14-8(18)4-16-5-13-10(15-16)17(19)20/h1-3,5H,4H2,(H,14,18)

InChI Key

JVDSYUMIMUFGGX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03821495

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.1

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.452

Distribution Coefficient, logD

2.440

Water Solubility, LogSw

-3.07

Polar Surface Area

78.388

Acid Dissociation Constant (pKa)

8.96

Base Dissociation Constant (pKb)

-1.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

8014-9925 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8014-9925 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-9925?
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What is the minimum amount of 8014-9925 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-9925
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-9925
  • 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 8014-9925 available by request