8004-2526 Screening compound: 2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(2,4-dichlorophenyl)acetamide

8004-2526 Screening compound: 2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(2,4-dichlorophenyl)acetamide
8004-2526 Screening compound: 2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(2,4-dichlorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-2526
2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(2,4-dichlorophenyl)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

8004-2526

Molecular Formula

C12H9BrCl2N4O3 (C12 H9 BrCl2 N4 O3)

Compound Name

2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(2,4-dichlorophenyl)acetamide

IUPAC name

2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(24-dichlorophenyl)acetamide

SMILES

Cc(n(CC(Nc(ccc(Cl)c1)c1Cl)=O)nc1[N+]([O-])=O)c1Br

InChI

InChI=1S/C12H9BrCl2N4O3/c1-6-11(13)12(19(21)22)17-18(6)5-10(20)16-9-3-2-7(14)4-8(9)15/h2-4H,5H2,1H3,(H,16,20)

InChI Key

SYPUUMKMZJGNHD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00300670

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.04

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.149

Distribution Coefficient, logD

3.133

Water Solubility, LogSw

-3.46

Polar Surface Area

69.709

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

-1.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

8004-2526 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 8004-2526 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-2526?
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What is the minimum amount of 8004-2526 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-2526
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-2526
  • 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 8004-2526 available by request